Geometry & MOs

Info

ID:	237912
PubChem CID:	92722562
Reduced:	SN3O5C26H29 (1)
Stoich.:	AB3C5D26E29 (1)
Weight, g/mol:	495.182792
ΔH_f, kcal/mol:	-138.47
Dipole, Da:	6.07
IP(EA), eV:	-8.82(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-(benzenesulfonyl)-1-[2-(furan-2-yl)ethyl]-2-methyl-N-[(4-methylphenyl)methyl]-6-oxopiperazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)[C@@]2(CN(CC(=O)N2CC3=CC=C(O3)C)S(=O)(=O)C4=CC=CC=C4)C

DOS

IR

Vibrations