Geometry & MOs

Info

ID:	318995
PubChem CID:	126654091
Reduced:	FO3N7H28C30 (1)
Stoich.:	AB3C7D28E30 (1)
Weight, g/mol:	603.206402
ΔH_f, kcal/mol:	-17.5
Dipole, Da:	4.99
IP(EA), eV:	-8.97(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2R,4R)-1-[2-[3-acetyl-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]ethyl]benzenesulfonamide

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=NN2C=C(C=NC2=C1)C3=CC4=C(C=C3)N(N=C4C(=O)C)CC(=O)N5C[C@@H](C[C@H]5C(=O)NCC6=CC=CC=C6)F

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=NN2C=C(C=NC2=C1)C3=CC4=C(C=C3)N(N=C4C(=O)C)CC(=O)N5C[C@@H](C[C@H]5C(=O)NCC6=CC=CC=C6)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):