Geometry & MOs

Info

ID:	120741
PubChem CID:	50742837
Reduced:	SN4O6C28H30 (1)
Stoich.:	AB4C6D28E30 (1)
Weight, g/mol:	472.163436
ΔH_f, kcal/mol:	-184.58
Dipole, Da:	5.31
IP(EA), eV:	-8.87(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-(4-methoxybenzoyl)-7-methyl-1,8-naphthyridin-4-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)NC(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)CCCCC(=O)NCC4=CC=CS4

DOS

IR

Vibrations