Geometry & MOs

Info

ID:	431918
PubChem CID:	135172045
Reduced:	N2O3C23H30 (1)
Stoich.:	A2B3C23D30 (1)
Weight, g/mol:	530.253847
ΔH_f, kcal/mol:	-100.81
Dipole, Da:	1.51
IP(EA), eV:	-8.42(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[4-[5-methoxypentyl(2-methylpropyl)amino]-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]phenyl]butanoate

Drug info:

PubChemData

Smile

CC(C)CN(C1CCOCC1)C2=C(C=C(C=C2)C3=CC=CC=C3C(=O)OC)N

DOS

IR

Vibrations