Geometry & MOs

Info

ID:	160252
PubChem CID:	57309598
Reduced:	SO3C21H34 (1)
Stoich.:	AB3C21D34 (1)
Weight, g/mol:	517.097742
ΔH_f, kcal/mol:	-172.27
Dipole, Da:	4.19
IP(EA), eV:	-9.09(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N,7-dihydroxy-5-(4-methoxyphenyl)sulfonyl-2-N-methyl-2-N-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2,6-dicarboxamide

Drug info:

PubChemData

Smile

CCCCCC(=O)CCC1=CC=C(S1)CCCCCCCCC(=O)O

DOS

IR

Vibrations