Geometry & MOs

Info

ID:	49613
PubChem CID:	11533360
Reduced:	NSO4H27C30 (1)
Stoich.:	ABC4D27E30 (1)
Weight, g/mol:	497.188546
ΔH_f, kcal/mol:	-24.84
Dipole, Da:	1.55
IP(EA), eV:	-8.58(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-cyclohexane]-1'-yl)-3-(quinolin-4-ylmethylamino)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C\1=C(C2=C(/C1=[N+](/C)\[O-])C=C(C=C2)OCCCC3=CC=CC=C3)C4=CSC5=CC=CC=C54

DOS

IR

Vibrations