Geometry & MOs

Info

ID:	435004
PubChem CID:	135177015
Reduced:	OF3N4C21H29 (1)
Stoich.:	AB3C4D21E29 (1)
Weight, g/mol:	521.170845
ΔH_f, kcal/mol:	-93.36
Dipole, Da:	4.14
IP(EA), eV:	-8.91(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[2-methylpropyl(oxan-4-yl)amino]-5-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pyridin-3-yl]benzoic acid

Drug info:

PubChemData

Smile

CC1=NC2C(C(=C2OC)C3CCNC3)C(=N1)NC(C)C4CCCC(=C4)C(F)(F)F

DOS

IR

Vibrations