Geometry & MOs

Info

ID:	237889
PubChem CID:	92722499
Reduced:	SN3O6C23H27 (1)
Stoich.:	AB3C6D23E27 (1)
Weight, g/mol:	463.133255
ΔH_f, kcal/mol:	-193.25
Dipole, Da:	2.32
IP(EA), eV:	-8.59(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(3-chloro-2-methylphenyl)-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)N2CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C)C

DOS

IR

Vibrations