Geometry & MOs

Info

ID:	225811
PubChem CID:	87226400
Reduced:	PH12C13 (2)
Stoich.:	AB12C13 (2)
Weight, g/mol:	660.204256
ΔH_f, kcal/mol:	81.48
Dipole, Da:	2.78
IP(EA), eV:	-8.52(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methoxyanilino)-8-methyl-6-[3-[methyl-[4-(5-oxopent-1-ynyl)phenyl]carbamoyl]phenyl]sulfonylquinoline-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)P(CCPC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations