Geometry & MOs

Info

ID:	35074
PubChem CID:	7979276
Reduced:	NSO3C21H21 (1)
Stoich.:	ABC3D21E21 (1)
Weight, g/mol:	350.021741
ΔH_f, kcal/mol:	-85.59
Dipole, Da:	2.48
IP(EA), eV:	-9.14(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[4-(1,3-dithiolan-2-yl)benzoyl]thiophene-2-carbohydrazide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1COC(=O)[C@@H]2CS[C@]3(N2C(=O)CC3)C4=CC=CC=C4

DOS

IR

Vibrations