Geometry & MOs

Info

ID:	140222
PubChem CID:	52665515
Reduced:	ClO3N4C24H30 (1)
Stoich.:	AB3C4D24E30 (1)
Weight, g/mol:	456.192818
ΔH_f, kcal/mol:	-64.56
Dipole, Da:	1.71
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.122124
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-cyclopropyl-5-[[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoylamino]benzamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1[C@@H](CNC(=O)NC2=CC(=C(C=C2)Cl)C(=O)NC3CC3)[NH+]4CCCC4

DOS

IR

Vibrations