Geometry & MOs

Info

ID:	176699
PubChem CID:	76083966
Reduced:	SO3C18H34 (1)
Stoich.:	AB3C18D34 (1)
Weight, g/mol:	510.124292
ΔH_f, kcal/mol:	-189.58
Dipole, Da:	5.86
IP(EA), eV:	-8.96(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,7-dihydroxy-5-(4-methoxyphenyl)sulfonyl-2-(4-methylpiperazine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-6-carboxamide

Drug info:

PubChemData

Smile

C(CCCC=CCC(CCCCCCS)O)CCCC(=O)O

DOS

IR

Vibrations