Geometry & MOs

Info

ID:	141167
PubChem CID:	52829304
Reduced:	SN2O4C17H20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	375.158292
ΔH_f, kcal/mol:	-85.92
Dipole, Da:	5.41
IP(EA), eV:	-8.97(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-anilinopyridin-3-yl)-3-methoxy-4-prop-2-enoxybenzamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=NC(=CS2)C(=O)NO[C@@H]3CCCCO3

DOS

IR

Vibrations