Geometry & MOs

Info

ID:	237906
PubChem CID:	92722522
Reduced:	SN3O5C18H27 (1)
Stoich.:	AB3C5D18E27 (1)
Weight, g/mol:	459.182792
ΔH_f, kcal/mol:	-195.98
Dipole, Da:	4.87
IP(EA), eV:	-9.35(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[(2-methoxyphenyl)methyl]-2-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)N2CCOC)S(=O)(=O)C)C

DOS

IR

Vibrations