Geometry & MOs

Info

ID:	43991
PubChem CID:	10322775
Reduced:	ClN2O3C28H29 (1)
Stoich.:	AB2C3D28E29 (1)
Weight, g/mol:	477.122164
ΔH_f, kcal/mol:	-56.26
Dipole, Da:	5.74
IP(EA), eV:	-8.07(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[4-[[[4-[4-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]amino]methyl]phenyl]propanoate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)CCC2=CC=C(C=C2)C3=CN4CCN=C4C5=CC=CC=C53.Cl

DOS

IR

Vibrations