Geometry & MOs

Info

ID:	243452
PubChem CID:	99222933
Reduced:	N2S3O6C21H26 (1)
Stoich.:	A2B3C6D21E26 (1)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	-203.4
Dipole, Da:	3.52
IP(EA), eV:	-8.78(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[[2-[ethyl(2-pyridin-2-ylethyl)amino]acetyl]amino]benzamide

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)CN([C@@H]2CCS(=O)(=O)C2)C(=O)CC3=CC=C(C=C3)NS(=O)(=O)C4=CC=CS4

DOS

IR

Vibrations