Geometry & MOs

Info

ID:	195608
PubChem CID:	78710489
Reduced:	N2O5C24H28 (1)
Stoich.:	A2B5C24D28 (1)
Weight, g/mol:	328.106791
ΔH_f, kcal/mol:	-179.12
Dipole, Da:	1.67
IP(EA), eV:	-8.89(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclopropyl-N-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1N2CC(CC2=O)C(=O)OCC(=O)NCCC3=CC=CC=C3OC

DOS

IR

Vibrations