Geometry & MOs

Info

ID:	237905
PubChem CID:	92722520
Reduced:	SN3O4C23H29 (1)
Stoich.:	AB3C4D23E29 (1)
Weight, g/mol:	397.167142
ΔH_f, kcal/mol:	-142.5
Dipole, Da:	7.73
IP(EA), eV:	-9.32(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(2-methoxyethyl)-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)N2C3=CC(=CC(=C3)C)C)S(=O)(=O)C)C

DOS

IR

Vibrations