Geometry & MOs

Info

ID:	131212
PubChem CID:	51175773
Reduced:	N3O3C20H23 (1)
Stoich.:	A3B3C20D23 (1)
Weight, g/mol:	373.146013
ΔH_f, kcal/mol:	-71.32
Dipole, Da:	0.49
IP(EA), eV:	-9.17(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)-2-phenylethyl]-2-(4-nitrophenyl)sulfanylpropanamide

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCN(CC1)C(=O)C2=C(N=CC=C2)OC3=CC=CC=C3

DOS

IR

Vibrations