Geometry & MOs

Info

ID:	406118
PubChem CID:	135076593
Reduced:	N3O3C8H11 (1)
Stoich.:	A3B3C8D11 (1)
Weight, g/mol:	287.082744
ΔH_f, kcal/mol:	-29.62
Dipole, Da:	7.5
IP(EA), eV:	-8.8(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methylpropoxycarbonylamino) 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/C=C/OC)/N=[N+]=[N-]

DOS

IR

Vibrations