Geometry & MOs

Info

ID:	35109
PubChem CID:	7979323
Reduced:	NSO5H21C22 (1)
Stoich.:	ABC5D21E22 (1)
Weight, g/mol:	314.033683
ΔH_f, kcal/mol:	-159.61
Dipole, Da:	5.02
IP(EA), eV:	-9.25(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[3-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)COC(=O)[C@H]2CS[C@@]3(N2C(=O)CC3)C4=CC=CC=C4

DOS

IR

Vibrations