Geometry & MOs

Info

ID:	68331
PubChem CID:	46508202
Reduced:	N2S2O4H24C25 (1)
Stoich.:	A2B2C4D24E25 (1)
Weight, g/mol:	430.081027
ΔH_f, kcal/mol:	-102.52
Dipole, Da:	5.3
IP(EA), eV:	-8.29(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-acetamido-3-thiophen-2-ylpropanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)OCC(=O)N3CCC4=C(C3)C=CS4

DOS

IR

Vibrations