Geometry & MOs

Info

ID:	29004
PubChem CID:	831088
Reduced:	SO3N4H14C16 (1)
Stoich.:	AB3C4D14E16 (1)
Weight, g/mol:	329.101171
ΔH_f, kcal/mol:	33.35
Dipole, Da:	5.77
IP(EA), eV:	-9.01(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(dihydroxyamino)-4-oxocyclohexa-2,5-dien-1-ylidene]methylimino]-2-(2-methylphenoxy)acetamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C(=N2)C)N=CC3=CC=C(C=C3)[N+](=O)[O-])C

DOS

IR

Vibrations