Geometry & MOs

Info

ID:	133449
PubChem CID:	51529250
Reduced:	ON2S3C18H19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	527.242021
ΔH_f, kcal/mol:	53.85
Dipole, Da:	5.55
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.214790
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-2,7,7-trimethyl-N-(5-methylpyridin-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@H]2C3=C(C(=C4SCCS4)CCC3)NC(=N2)[S-]

DOS

IR

Vibrations