Geometry & MOs

Info

ID:	35069
PubChem CID:	7979269
Reduced:	NSO3C20H25 (1)
Stoich.:	ABC3D20E25 (1)
Weight, g/mol:	329.029269
ΔH_f, kcal/mol:	-128.5
Dipole, Da:	3.1
IP(EA), eV:	-9.09(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]thiophene-2-carbohydrazide

Drug info:

PubChemData

Smile

C1CCC(CC1)COC(=O)[C@@H]2CS[C@@]3(N2C(=O)CC3)C4=CC=CC=C4

DOS

IR

Vibrations