Geometry & MOs

Info

ID:	65173
PubChem CID:	29204568
Reduced:	ClON2H7C9 (2)
Stoich.:	ABC2D7E9 (2)
Weight, g/mol:	358.057648
ΔH_f, kcal/mol:	15.35
Dipole, Da:	4.11
IP(EA), eV:	-9.5(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N'-[5-[(3S)-dithiolan-3-yl]pentanoyl]benzohydrazide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C(=O)NNC(=O)C2=CC=C(C=C2)Cl)Cl)C3=CC=CC=C3

DOS

IR

Vibrations