Geometry & MOs

Info

ID:	195875
PubChem CID:	78745170
Reduced:	SN3O4C17H19 (1)
Stoich.:	AB3C4D17E19 (1)
Weight, g/mol:	351.121906
ΔH_f, kcal/mol:	-44.16
Dipole, Da:	4.19
IP(EA), eV:	-9.16(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-naphthalen-1-ylethyl)-2-(2-nitropyridin-3-yl)oxyacetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C(=S)NC1C2=CC(=CC=C2)[N+](=O)[O-])CC=C)C

DOS

IR

Vibrations