Geometry & MOs

Info

ID:	309082
PubChem CID:	126536425
Reduced:	P4S6O7C19H41 (1)
Stoich.:	A4B6C7D19E41 (1)
Weight, g/mol:	220.015393
ΔH_f, kcal/mol:	-552.73
Dipole, Da:	8.02
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751067
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-6-nitrocyclohexa-1,5-diene-1-sulfonamide

Drug info:

PubChemData

Smile

CC1(COP(=S)(OC1)SCP(=O)(CSP(OCC(C)(C)COC)S)CS[P+]2(OCC(CO2)(C)C)S)C

DOS

IR

Vibrations