Geometry & MOs

Info

ID:	193989
PubChem CID:	78464577
Reduced:	N3O5C12H14 (1)
Stoich.:	A3B5C12D14 (1)
Weight, g/mol:	373.109627
ΔH_f, kcal/mol:	-51.62
Dipole, Da:	3.53
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.340841
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-hydroxy-3,5-dimethylphenyl)methylsulfanyl]-N-[(3-nitrophenyl)methylideneamino]acetamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1[O-])C=NN2CCOCC2)[N+](=O)[O-]

DOS

IR

Vibrations