Geometry & MOs

Info

ID:	233439
PubChem CID:	90944485
Reduced:	SN3O4C12H15 (1)
Stoich.:	AB3C4D12E15 (1)
Weight, g/mol:	470.182829
ΔH_f, kcal/mol:	-111.1
Dipole, Da:	8.72
IP(EA), eV:	-9.98(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(5S)-7-benzyl-9-hydroxy-5,16-dimethyl-3,6,9,14-tetraza-7-azoniapentacyclo[11.9.0.02,10.07,14.017,22]docosa-1(13),2(10),11,17,19,21-hexaene-4,8,15-trione

Drug info:

PubChemData

Smile

CC(C(=O)NCC#N)NS(=O)(=O)C1=CC=C(C=C1)OC

DOS

IR

Vibrations