Geometry & MOs

Info

ID:	440882
PubChem CID:	135232003
Reduced:	NSO2C24H47 (1)
Stoich.:	ABC2D24E47 (1)
Weight, g/mol:	442.164105
ΔH_f, kcal/mol:	-169.14
Dipole, Da:	7.8
IP(EA), eV:	-8.86(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3-(3-cyclohexa-1,3-dien-1-yl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

Drug info:

PubChemData

Smile

CC(C)CCCC(C)CCCC(C)CCC/C(=C/CSCC(C(=O)O)NC)/C

DOS

IR

Vibrations