Geometry & MOs

Info

ID:

64165

PubChem CID:

29197152

Reduced:

SN3O3C26H28 (1)

Stoich.:

AB3C3D26E28 (1)

Weight, g/mol:

333.078327

ΔHf, kcal/mol:

20.53

Dipole, Da:

10.93

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.211763

Charge, e:

 0

Chem-info

IUPAC name:

N'-[3-(methylsulfonylmethyl)benzoyl]pyridine-2-carbohydrazide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=C(C(=O)C2=CC(=CC=C2)[N+](=O)[O-])[N+]3=CC=C(C=C3)C(C)(C)C)S)C

DOS

IR

Vibrations