Geometry & MOs

Info

ID:	426669
PubChem CID:	135153248
Reduced:	SF3O3N4C26H29 (1)
Stoich.:	AB3C3D4E26F29 (1)
Weight, g/mol:	506.196332
ΔH_f, kcal/mol:	-202.19
Dipole, Da:	5.27
IP(EA), eV:	-8.93(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN(C1CCOCC1)C2=C(C=C(C=C2)C3=CC=CC=C3C(=O)OC)NC4=NC(=NS4)C(F)(F)F

DOS

IR

Vibrations