Geometry & MOs

Info

ID:	146497
PubChem CID:	53698062
Reduced:	ClNO3C8H8 (1)
Stoich.:	ABC3D8E8 (1)
Weight, g/mol:	322.098728
ΔH_f, kcal/mol:	-103.95
Dipole, Da:	4.93
IP(EA), eV:	-10.11(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(8-ethoxy-4-methylsulfonyl-1,7-naphthyridin-3-yl)butan-1-one

Drug info:

PubChemData

Smile

CC1C(=O)C(=C(N(C1=O)C)Cl)C=O

DOS

IR

Vibrations