Geometry & MOs

Info

ID:	132475
PubChem CID:	51368076
Reduced:	N3O5H19C24 (1)
Stoich.:	A3B5C19D24 (1)
Weight, g/mol:	443.148121
ΔH_f, kcal/mol:	-94.7
Dipole, Da:	9.98
IP(EA), eV:	-9.02(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[3-[(6-methylpyridin-2-yl)carbamoyl]-7-oxochromen-2-yl]amino]benzoate

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=O)C2=C(OC3=CC(=O)C=CC3=C2)NC4=CC=CC(=C4)C(=O)OC

DOS

IR

Vibrations