Geometry & MOs

Info

ID:	376448
PubChem CID:	134222461
Reduced:	N2O2C9H14 (1)
Stoich.:	A2B2C9D14 (1)
Weight, g/mol:	721.07529
ΔH_f, kcal/mol:	-32.4
Dipole, Da:	5.98
IP(EA), eV:	-9.29(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[2-(3-acetyl-5-pyrimidin-5-ylindol-1-yl)acetyl]-N-[3-(2-chlorophenyl)-2-fluorophenyl]-5-iodopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC/C=C\C(=C)N(CC(=O)O)N=C

DOS

IR

Vibrations