Geometry & MOs

Info

ID:	376224
PubChem CID:	134222234
Reduced:	ClNC14H20 (1)
Stoich.:	ABC14D20 (1)
Weight, g/mol:	681.156608
ΔH_f, kcal/mol:	-0.92
Dipole, Da:	1.94
IP(EA), eV:	-9.18(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[2-[3-acetyl-5-[2-(trifluoromethyl)pyrimidin-5-yl]indol-1-yl]acetyl]-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C/C=C/C1=CC=C(C=C1)CCN)CCl

DOS

IR

Vibrations