Geometry & MOs

Info

ID:	29035
PubChem CID:	831262
Reduced:	NO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	317.108565
ΔH_f, kcal/mol:	-129.44
Dipole, Da:	1.66
IP(EA), eV:	-9.36(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4,5-dimethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)CC(=O)NC1=CC=CC=C1C(=O)O

DOS

IR

Vibrations