Geometry & MOs

Info

ID:	28573
PubChem CID:	828414
Reduced:	ClNOH10C11 (1)
Stoich.:	ABCD10E11 (1)
Weight, g/mol:	331.124215
ΔH_f, kcal/mol:	-15.19
Dipole, Da:	3.36
IP(EA), eV:	-9.43(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-tert-butylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC2=NC(=C(C=C2C=C1)CO)Cl

DOS

IR

Vibrations