Geometry & MOs

Info

ID:	48637
PubChem CID:	11110202
Reduced:	N2S2O4C13H14 (1)
Stoich.:	A2B2C4D13E14 (1)
Weight, g/mol:	326.120132
ΔH_f, kcal/mol:	-1.41
Dipole, Da:	8.63
IP(EA), eV:	-8.3(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-N-phenyl-3-(phenylcarbamothioylhydrazinylidene)butanamide

Drug info:

PubChemData

Smile

COC1=C/C(=C(\N2CCC[C@H]2C=S)/S)/C(=CC1=O)[N+](=O)[O-]

DOS

IR

Vibrations