Geometry & MOs

Info

ID:	237862
PubChem CID:	92722269
Reduced:	SN3O4C23H29 (1)
Stoich.:	AB3C4D23E29 (1)
Weight, g/mol:	431.151492
ΔH_f, kcal/mol:	-130.86
Dipole, Da:	6.58
IP(EA), eV:	-9.04(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-benzyl-1-(3-methoxyphenyl)-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)N2C(=O)CN(C[C@@]2(C)C(=O)NCC3=CC=CC=C3)S(=O)(=O)CC

DOS

IR

Vibrations