Geometry & MOs

Info

ID:	39425
PubChem CID:	8140741
Reduced:	SN2O2F3C19H19 (1)
Stoich.:	AB2C2D3E19F19 (1)
Weight, g/mol:	418.156243
ΔH_f, kcal/mol:	-188.66
Dipole, Da:	3.46
IP(EA), eV:	-9.25(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(2,3,4-trimethoxybenzoyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide

Drug info:

PubChemData

Smile

C1CCCC2=C(CC1)C=C(S2)C(=O)NNC(=O)C3=CC=CC=C3C(F)(F)F

DOS

IR

Vibrations