Geometry & MOs

Info

ID:

168605

PubChem CID:

74994237

Reduced:

S2O18N32C87H134 (1)

Stoich.:

A2B18C32D87E134 (1)

Weight, g/mol:

328.097855

ΔHf, kcal/mol:

-586.11

Dipole, Da:

9.39

IP(EA), eV:

 -8.77(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(3-aminopropoxy)-7-chloro-3-phenyl-3H-quinolin-2-one

Drug info:

PubChemData

Smile

CC1C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)N1)CCCN=C(N)N)CC3=CC=C(C=C3)O)NC(=O)C(CC4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N)C(=O)NC(CCCN=C(N)N)C(=O)O)CCCNC(=O)N)CCCN=C(N)N)CC6=CC=C(C=C6)O)CCCCN

DOS

IR

Vibrations