Geometry & MOs

Info

ID:	34919
PubChem CID:	7979087
Reduced:	NSO2C10H10 (2)
Stoich.:	ABC2D10E10 (2)
Weight, g/mol:	364.064841
ΔH_f, kcal/mol:	-111.32
Dipole, Da:	5.2
IP(EA), eV:	-9.27(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N'-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]benzohydrazide

Drug info:

PubChemData

Smile

C1C[C@@]2(N(C1=O)[C@@H](CS2)C(=O)OCC(=O)NCC3=CC=CS3)C4=CC=CC=C4

DOS

IR

Vibrations