Geometry & MOs

Info

ID:	28468
PubChem CID:	827784
Reduced:	N2O2H18C19 (1)
Stoich.:	A2B2C18D19 (1)
Weight, g/mol:	331.124215
ΔH_f, kcal/mol:	8.63
Dipole, Da:	5.48
IP(EA), eV:	-8.3(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C1=C(C)C2=CC=C(C=C2)OC)C3=CC=CC=C3

DOS

IR

Vibrations