Geometry & MOs

Info

ID:	245226
PubChem CID:	99437955
Reduced:	SN4O4C22H28 (1)
Stoich.:	AB4C4D22E28 (1)
Weight, g/mol:	454.203862
ΔH_f, kcal/mol:	-138.02
Dipole, Da:	10.84
IP(EA), eV:	-8.63(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2R)-2-benzamido-4-methylsulfanylbutanoyl]-N-(3-methylphenyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C)C(=O)N2CCN(CC2)C(=O)NC3=CC=CC(=C3)C

DOS

IR

Vibrations