Geometry & MOs

Info

ID:	340416
PubChem CID:	127262427
Reduced:	OSN2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	234.136828
ΔH_f, kcal/mol:	33.31
Dipole, Da:	3.65
IP(EA), eV:	-8.4(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-N-(propylcarbamoyl)benzenecarboximidate

Drug info:

PubChemData

Smile

CCO/C(=N/C(=S)NC1=CC=CC=C1)/C2=CC=CC=C2

DOS

IR

Vibrations