Geometry & MOs

Info

ID:	441808
PubChem CID:	135245085
Reduced:	O3N5H21C25 (1)
Stoich.:	A3B5C21D25 (1)
Weight, g/mol:	429.151098
ΔH_f, kcal/mol:	-4.72
Dipole, Da:	3.08
IP(EA), eV:	-9.34(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(6S)-3-(1,3-benzothiazol-2-yl)-6,7-dimethyl-7-tricyclo[4.2.0.02,4]oct-1(8)-enyl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

Drug info:

PubChemData

Smile

CC1C(OC2=C1C=C(C=C2)OC3=C4CCC(=O)NC4=NC=C3)C5=NC=C(N5)C6=CC=NC=C6

DOS

IR

Vibrations