Geometry & MOs

Info

ID:	437380
PubChem CID:	135226189
Reduced:	O5C9H12 (1)
Stoich.:	A5B9C12 (1)
Weight, g/mol:	633.206672
ΔH_f, kcal/mol:	-204.53
Dipole, Da:	3.87
IP(EA), eV:	-10.82(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-1-[2-(3-acetylindazol-1-yl)acetyl]-N-[3-[2-(3-aminopropyl)-4-chloro-1H-benzimidazol-5-yl]-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC(=O)[C@@H]1CC(C=C1C(=O)OC)O

DOS

IR

Vibrations