Geometry & MOs

Info

ID:	424795
PubChem CID:	135123956
Reduced:	SO5N6C34H42 (1)
Stoich.:	AB5C6D34E42 (1)
Weight, g/mol:	417.099457
ΔH_f, kcal/mol:	-108.24
Dipole, Da:	12.15
IP(EA), eV:	-9.03(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-N-(7-nitro-2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC[C@@H]1CN(S(=O)(=O)C2=C(O1)N=CC=C2)CC3=C(C=CC(=C3)C(CC(=O)NCC4CCOC4)C5=C(C6=C(C=C5)N(N=N6)CC)C)C

DOS

IR

Vibrations