Geometry & MOs

Info

ID:	432117
PubChem CID:	135172249
Reduced:	SF3O4N5C24H28 (1)
Stoich.:	AB3C4D5E24F28 (1)
Weight, g/mol:	475.225326
ΔH_f, kcal/mol:	-201.43
Dipole, Da:	4.61
IP(EA), eV:	-9.04(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[3-[[5-(methylcarbamoyl)-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)NC3=C(C(=O)C3=O)O)NC4=NC(=NS4)C(F)(F)F

DOS

IR

Vibrations