Geometry & MOs

Info

ID:	237900
PubChem CID:	92722513
Reduced:	SN3O4C20H31 (1)
Stoich.:	AB3C4D20E31 (1)
Weight, g/mol:	443.187878
ΔH_f, kcal/mol:	-174.82
Dipole, Da:	9.52
IP(EA), eV:	-9.54(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-methyl-1-[(3-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]-4-methylsulfonyl-6-oxopiperazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)[C@@]2(CN(CC(=O)N2CCC(C)C)S(=O)(=O)C)C

DOS

IR

Vibrations