Geometry & MOs

Info

ID:	39424
PubChem CID:	8140740
Reduced:	N2O2S2C17H20 (1)
Stoich.:	A2B2C2D17E20 (1)
Weight, g/mol:	396.111934
ΔH_f, kcal/mol:	-36.11
Dipole, Da:	1.42
IP(EA), eV:	-9.11(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(trifluoromethyl)benzoyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C(=O)NNC(=O)C2=CC3=C(S2)CCCCCC3

DOS

IR

Vibrations