Geometry & MOs

Info

ID:	156924
PubChem CID:	56394874
Reduced:	SN4O4H22C25 (1)
Stoich.:	AB4C4D22E25 (1)
Weight, g/mol:	447.098584
ΔH_f, kcal/mol:	-53.41
Dipole, Da:	9.36
IP(EA), eV:	-8.73(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[[(E)-3-(6-chloro-2H-chromen-3-yl)prop-2-enoyl]amino]pyridin-2-yl]oxybenzamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=NC(=C(S2)C(=O)NC3=CN=C(C=C3)OC4=CC=CC(=C4)C(=O)N)C

DOS

IR

Vibrations