Geometry & MOs

Info

ID:	223984
PubChem CID:	85336569
Reduced:	FON4C24H39 (1)
Stoich.:	ABC4D24E39 (1)
Weight, g/mol:	422.034805
ΔH_f, kcal/mol:	-108.37
Dipole, Da:	4.12
IP(EA), eV:	-8.45(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-2-(3-methoxyprop-1-ynyl)-4-sulfanylidene-5,6,7,7a-tetrahydro-3aH-thieno[2,3-b]pyridine-5-carbothioamide

Drug info:

PubChemData

Smile

CN(C)CCNC(=O)NC1CCCCC1CN2CCCC(C2)CC3=CC=C(C=C3)F

DOS

IR

Vibrations