Geometry & MOs

Info

ID:	322595
PubChem CID:	126670611
Reduced:	NC13H21 (1)
Stoich.:	AB13C21 (1)
Weight, g/mol:	635.17356
ΔH_f, kcal/mol:	17.48
Dipole, Da:	2.65
IP(EA), eV:	-7.44(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,5R)-2-[2-[3-acetyl-5-(2-formylpyrimidin-5-yl)indol-1-yl]acetyl]-N-[3-(2-chlorophenyl)-2-fluorophenyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)N(C)/C=C/1\CC=CC=C1

DOS

IR

Vibrations