Geometry & MOs

Info

ID:	441585
PubChem CID:	135236483
Reduced:	ClFO2S2N4H18C22 (1)
Stoich.:	ABC2D2E4F18G22 (1)
Weight, g/mol:	476.105146
ΔH_f, kcal/mol:	-35.67
Dipole, Da:	8.4
IP(EA), eV:	-8.86(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-3-cyano-7-oxo-1H-quinolin-6-yl]acetamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)C4CSSC4

DOS

IR

Vibrations