Geometry & MOs

Info

ID:	298659
PubChem CID:	117653646
Reduced:	IO4N6C19H21 (1)
Stoich.:	AB4C6D19E21 (1)
Weight, g/mol:	293.072179
ΔH_f, kcal/mol:	-67.77
Dipole, Da:	1.21
IP(EA), eV:	-8.88(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,6-trimethyl-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1[C@@]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)NCC4=CC(=CC=C4)I)O)(C(=O)NC)O

DOS

IR

Vibrations