Geometry & MOs

Info

ID:	172680
PubChem CID:	75540554
Reduced:	NOS2H13C14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	395.176644
ΔH_f, kcal/mol:	24.95
Dipole, Da:	3.12
IP(EA), eV:	-8.84(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-N-(1,1-dioxothiolan-3-yl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CSC1=CC=CC=C1NC(=O)C=CC2=CSC=C2

DOS

IR

Vibrations