Geometry & MOs

Info

ID:	426702
PubChem CID:	135153452
Reduced:	OSF2N3C13H13 (1)
Stoich.:	ABC2D3E13F13 (1)
Weight, g/mol:	460.250812
ΔH_f, kcal/mol:	-68.88
Dipole, Da:	3.63
IP(EA), eV:	-9.47(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[4-[2-methylpropyl(oxan-4-yl)amino]-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)N(C)C(=O)C2=C(N=NS2)C(F)F

DOS

IR

Vibrations