Geometry & MOs

Info

ID:	334379
PubChem CID:	127252931
Reduced:	N5O6C34H45 (1)
Stoich.:	A5B6C34D45 (1)
Weight, g/mol:	312.074621
ΔH_f, kcal/mol:	-90.29
Dipole, Da:	11.61
IP(EA), eV:	-8.79(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-4-oxo-N-(4-oxochromen-6-yl)-1H-pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)NCCN1C(=CC(=N1)C)C)NC2=CC=C3C(=CC2=O)[C@H](CCC4=CC(=C(C(=C43)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations