Geometry & MOs

Info

ID:	35551
PubChem CID:	7980020
Reduced:	FON2C17H19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	404.132527
ΔH_f, kcal/mol:	-47.39
Dipole, Da:	2.54
IP(EA), eV:	-9.99(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N'-[4-(4-chlorophenyl)sulfanylbutanoyl]benzohydrazide

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@@H]1NC(=O)/C(=C/C2=CC=C(C=C2)F)/C#N

DOS

IR

Vibrations