Geometry & MOs

Info

ID:	426750
PubChem CID:	135153692
Reduced:	OF2S2N3H9C11 (1)
Stoich.:	AB2C2D3E9F11 (1)
Weight, g/mol:	469.230074
ΔH_f, kcal/mol:	-57.26
Dipole, Da:	2.67
IP(EA), eV:	-8.61(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[4-[2-methylpropyl(oxan-4-yl)amino]-3-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

CSC1=CC=CC(=C1)NC(=O)C2=C(N=NS2)C(F)F

DOS

IR

Vibrations