Geometry & MOs

Info

ID:	34133
PubChem CID:	7889985
Reduced:	NO2C24H25 (1)
Stoich.:	AB2C24D25 (1)
Weight, g/mol:	387.075214
ΔH_f, kcal/mol:	-46.22
Dipole, Da:	3.44
IP(EA), eV:	-9.26(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4,5-dimethyl-2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]thiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)COC(=O)C2=C3CCCCC3=NC4=CC=CC=C42

DOS

IR

Vibrations