Geometry & MOs

Info

ID:	34980
PubChem CID:	7979160
Reduced:	SN2O4C21H26 (1)
Stoich.:	AB2C4D21E26 (1)
Weight, g/mol:	358.08097
ΔH_f, kcal/mol:	-166.55
Dipole, Da:	5.93
IP(EA), eV:	-9.33(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1CCCC1)OC(=O)[C@H]2CS[C@@]3(N2C(=O)CC3)C4=CC=CC=C4

DOS

IR

Vibrations