Geometry & MOs

Info

ID:	193743
PubChem CID:	78433997
Reduced:	N2O3C24H28 (1)
Stoich.:	A2B3C24D28 (1)
Weight, g/mol:	453.09139
ΔH_f, kcal/mol:	-74.34
Dipole, Da:	0.98
IP(EA), eV:	-8.09(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-methylphenyl)-2-[[3-cyano-4-(furan-2-yl)-5-oxo-4a,6,7,8-tetrahydro-4H-quinolin-2-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C3CC(CC(=O)C3C(N2)C4=CC(=C(C=C4)OC)OC)(C)C

DOS

IR

Vibrations