Geometry & MOs

Info

ID:	433947
PubChem CID:	135174094
Reduced:	OSN6C33H34 (1)
Stoich.:	ABC6D33E34 (1)
Weight, g/mol:	546.256566
ΔH_f, kcal/mol:	90.48
Dipole, Da:	5.69
IP(EA), eV:	-8.18(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-3-[2-methyl-3-(5-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl)phenyl]phenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine

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(C=CC=C1C2=NC3=C(S2)CN(C3)C)C4=C(C(=CC=C4)NC5=NC=CC6=CC(=CN=C65)CN7CC[C@H](C7)O)C

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(C=CC=C1C2=NC3=C(S2)CN(C3)C)C4=C(C(=CC=C4)NC5=NC=CC6=CC(=CN=C65)CN7CC[C@H](C7)O)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):