Geometry & MOs

Info

ID:	35131
PubChem CID:	7979363
Reduced:	NSO5C17H17 (1)
Stoich.:	ABC5D17E17 (1)
Weight, g/mol:	340.049333
ΔH_f, kcal/mol:	-179.63
Dipole, Da:	6.99
IP(EA), eV:	-9.29(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]thiophene-2-carbohydrazide

Drug info:

PubChemData

Smile

C1COC(=O)[C@@H]1OC(=O)[C@H]2CS[C@]3(N2C(=O)CC3)C4=CC=CC=C4

DOS

IR

Vibrations