Geometry & MOs

Info

ID:	432054
PubChem CID:	135172186
Reduced:	ClFN3O3C26H35 (1)
Stoich.:	ABC3D3E26F35 (1)
Weight, g/mol:	461.209676
ΔH_f, kcal/mol:	-171.61
Dipole, Da:	4.31
IP(EA), eV:	-8.6(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)CC(C)C1=CC(=C(C=C1F)N(CC(C)C)C2CCOCC2)NC3=NC=C(C=C3)Cl

DOS

IR

Vibrations