Geometry & MOs

Info

ID:	190909
PubChem CID:	78074520
Reduced:	NOCl2S2H13C14 (1)
Stoich.:	ABC2D2E13F14 (1)
Weight, g/mol:	626.289306
ΔH_f, kcal/mol:	32.7
Dipole, Da:	1.56
IP(EA), eV:	-8.4(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[[1-[(3-cyclopentyl-1-methyl-2-quinolin-6-ylindole-6-carbonyl)amino]cyclobutanecarbonyl]amino]phenyl]-2-methylprop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)SCC(=NO)C2=C(SC(=C2)Cl)Cl

DOS

IR

Vibrations