Geometry & MOs

Info

ID:	6971
PubChem CID:	70833
Reduced:	SN2O5C8H10 (1)
Stoich.:	AB2C5D8E10 (1)
Weight, g/mol:	246.031043
ΔH_f, kcal/mol:	-100.59
Dipole, Da:	8.96
IP(EA), eV:	-10.05(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-nitrophenyl) N,N-dimethylsulfamate

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)OC1=CC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations