Geometry & MOs

Info

ID:	28794
PubChem CID:	829688
Reduced:	NO3H13C18 (1)
Stoich.:	AB3C13D18 (1)
Weight, g/mol:	343.033686
ΔH_f, kcal/mol:	-41.93
Dipole, Da:	6.99
IP(EA), eV:	-8.63(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-methylbenzoyl)amino]-4-thiophen-2-ylthiophene-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)OC3=CC(=O)NC(=C32)C4=CC=CC=C4

DOS

IR

Vibrations