Geometry & MOs

Info

ID:	153967
PubChem CID:	56313324
Reduced:	ClF3O3N4C16H16 (1)
Stoich.:	AB3C3D4E16F16 (1)
Weight, g/mol:	375.161663
ΔH_f, kcal/mol:	-215.07
Dipole, Da:	2.43
IP(EA), eV:	-9.43(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)C(=O)NNC(=O)C2=C(C=C(C=C2)Cl)OC)C(F)(F)F

DOS

IR

Vibrations