Geometry & MOs

Info

ID:	398898
PubChem CID:	135036138
Reduced:	NO3C19H20 (1)
Stoich.:	AB3C19D20 (1)
Weight, g/mol:	361.150036
ΔH_f, kcal/mol:	-87.66
Dipole, Da:	3.41
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.772449
Charge, e:	0

Chem-info

IUPAC name:

N-(2-benzylsulfanyl-1-phenylethyl)-2-methylbenzamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[N+]1=C(C(C2=CC=CC=C21)C3=CC=CC=C3)O

DOS

IR

Vibrations