Geometry & MOs

Info

ID:	132553
PubChem CID:	51378270
Reduced:	SN4O5H13C15 (1)
Stoich.:	AB4C5D13E15 (1)
Weight, g/mol:	423.065082
ΔH_f, kcal/mol:	-36.38
Dipole, Da:	5.27
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.061535
Charge, e:	-1

Chem-info

IUPAC name:

(3-methylphenyl)-[(2-oxo-3-phenoxycarbonyl-1,3-benzoxazol-6-yl)sulfonyl]azanide

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)[N-]S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])N(C1=O)C

DOS

IR

Vibrations