Geometry & MOs

Info

ID:	314796
PubChem CID:	126623223
Reduced:	FN4O4C7H8 (1)
Stoich.:	AB4C4D7E8 (1)
Weight, g/mol:	575.09166
ΔH_f, kcal/mol:	-132.82
Dipole, Da:	2.69
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.792158
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromopyridin-2-yl)-4-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1C(N(CC1(CN=[N+]=N)F)C(=O)[O-])C(=O)[O-]

DOS

IR

Vibrations