Geometry & MOs

Info

ID:	432115
PubChem CID:	135172247
Reduced:	O2N3C26H37 (1)
Stoich.:	A2B3C26D37 (1)
Weight, g/mol:	486.227632
ΔH_f, kcal/mol:	-79.84
Dipole, Da:	8.45
IP(EA), eV:	-8.36(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCCC1)C2=C(C=C(C=C2)C(C)CC(=O)O)NCC3=CC=CC=N3

DOS

IR

Vibrations