Geometry & MOs

Info

ID:	131087
PubChem CID:	51154336
Reduced:	ClN3O4C18H18 (1)
Stoich.:	AB3C4D18E18 (1)
Weight, g/mol:	269.108565
ΔH_f, kcal/mol:	-52.17
Dipole, Da:	7.43
IP(EA), eV:	-9.28(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-diethoxyphenyl)-2-methylsulfanylacetamide

Drug info:

PubChemData

Smile

C1COCCN1C2=C(C=C(C=C2)Cl)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations