Geometry & MOs

Info

ID:	440213
PubChem CID:	135230123
Reduced:	SN2O2H22C23 (1)
Stoich.:	AB2C2D22E23 (1)
Weight, g/mol:	452.104208
ΔH_f, kcal/mol:	-23.49
Dipole, Da:	10.14
IP(EA), eV:	-8.34(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(1,3-benzoxazol-2-yl)-8,8,9-trimethyl-2-oxopyrano[3,2-g]quinolin-6-yl]methanesulfonic acid

Drug info:

PubChemData

Smile

CC1CC(N(C2=C1C=C3C=C(C(=O)OC3=C2)C4=NC5=CC=CC=C5S4)C)(C)C

DOS

IR

Vibrations