Geometry & MOs

Info

ID:	14135
PubChem CID:	405095
Reduced:	SN4O7H16C21 (1)
Stoich.:	AB4C7D16E21 (1)
Weight, g/mol:	468.07397
ΔH_f, kcal/mol:	-57.81
Dipole, Da:	3.22
IP(EA), eV:	-10.64(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,11-bis(4-nitrophenyl)-3-sulfanyl-2,4-diazaspiro[5.5]undec-3-ene-1,5,9-trione

Drug info:

PubChemData

Smile

C1C(C2(C(CC1=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NC(=NC2=O)S)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations