Geometry & MOs

Info

ID:	60381
PubChem CID:	26683953
Reduced:	SN3O4C25H33 (1)
Stoich.:	AB3C4D25E33 (1)
Weight, g/mol:	432.187149
ΔH_f, kcal/mol:	-147.14
Dipole, Da:	6.55
IP(EA), eV:	-9.19(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[(2R)-2-phenylbutyl]benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations