Geometry & MOs

Info

ID:	191801
PubChem CID:	78188490
Reduced:	N5O5C38H43 (1)
Stoich.:	A5B5C38D43 (1)
Weight, g/mol:	515.245392
ΔH_f, kcal/mol:	-166.32
Dipole, Da:	9.28
IP(EA), eV:	-9.31(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2-benzyl-6-oxopiperazin-1-yl)-2-hydroxypropyl]-N-(cyclopentylmethyl)-4-methoxybenzenesulfonamide

Drug info:

PubChemData

Smile

CC1(CCCCC1)NC(=O)C2=CC=CC=C2CC(C(CC3=CC=CC=C3)NC(=O)C(CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)O

DOS

IR

Vibrations