Geometry & MOs

Info

ID:	237859
PubChem CID:	92722158
Reduced:	SN3O4C25H33 (1)
Stoich.:	AB3C4D25E33 (1)
Weight, g/mol:	473.198442
ΔH_f, kcal/mol:	-141.78
Dipole, Da:	5.84
IP(EA), eV:	-8.66(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-benzyl-1-(3-methoxypropyl)-2-methyl-4-(4-methylphenyl)sulfonyl-6-oxopiperazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)CN(C[C@@]2(C)C(=O)NCCC(C)C)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations