Geometry & MOs

Info

ID:	233293
PubChem CID:	89649864
Reduced:	ClN2O5C26H27 (1)
Stoich.:	AB2C5D26E27 (1)
Weight, g/mol:	643.244914
ΔH_f, kcal/mol:	-126.65
Dipole, Da:	5.98
IP(EA), eV:	-8.92(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzoic acid;methyl 3-[[3-carbamoyl-7-chloro-6-(cyclopentylmethoxy)quinolin-4-yl]amino]-5-cyclopentylbenzoate

Drug info:

PubChemData

Smile

CN(C1=CC(=C(C=C1)C(=O)N(C)C2(CCOCC2)C3=CC=C(C=C3)OC)Cl)C(=O)C4=CC=CO4

DOS

IR

Vibrations