Geometry & MOs

Info

ID:	433693
PubChem CID:	135173833
Reduced:	S2O3N4C30H30 (1)
Stoich.:	A2B3C4D30E30 (1)
Weight, g/mol:	648.309186
ΔH_f, kcal/mol:	-13.33
Dipole, Da:	5.47
IP(EA), eV:	-9.25(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-chloro-3-[2-methyl-3-[[3-[(3-methylpyrrolidin-1-yl)methyl]-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C4=CC=CS4)N5CC6=CC=CC=C6C5)O

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C4=CC=CS4)N5CC6=CC=CC=C6C5)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):