Geometry & MOs

Info

ID:	237899
PubChem CID:	92722512
Reduced:	SN3O4C23H29 (1)
Stoich.:	AB3C4D23E29 (1)
Weight, g/mol:	409.203528
ΔH_f, kcal/mol:	-140.18
Dipole, Da:	8.88
IP(EA), eV:	-9.17(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-methyl-1-(3-methylbutyl)-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)N2C3=CC(=C(C=C3)C)C)S(=O)(=O)C)C

DOS

IR

Vibrations