Geometry & MOs

Info

ID:	237917
PubChem CID:	92722604
Reduced:	ClSN3O4C22H26 (1)
Stoich.:	ABC3D4E22F26 (1)
Weight, g/mol:	479.12817
ΔH_f, kcal/mol:	-144.37
Dipole, Da:	5.76
IP(EA), eV:	-9.18(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(4-chlorophenyl)methyl]-1-[(2-methoxyphenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N2C(=O)CN(C[C@]2(C)C(=O)NCC3=CC=C(C=C3)Cl)S(=O)(=O)C)C

DOS

IR

Vibrations