Geometry & MOs

Info

ID:	431763
PubChem CID:	135171867
Reduced:	OSF3N8C22H33 (1)
Stoich.:	ABC3D8E22F33 (1)
Weight, g/mol:	458.235162
ΔH_f, kcal/mol:	-109.95
Dipole, Da:	6.38
IP(EA), eV:	-8.88(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN(C1CCOCC1)C2=C(C=C(C=C2)C(C)C/C(=N/N)/NN)NC3=NC(=NS3)C(F)(F)F

DOS

IR

Vibrations