Geometry & MOs

Info

ID:	432061
PubChem CID:	135172193
Reduced:	SN4O4C23H34 (1)
Stoich.:	AB4C4D23E34 (1)
Weight, g/mol:	432.219512
ΔH_f, kcal/mol:	-131.2
Dipole, Da:	4.14
IP(EA), eV:	-8.75(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](CC(=O)O)C1=CC(=C(C=C1)N(CC(C)C)C2CCOCC2)NC3=NN=C(S3)COC

DOS

IR

Vibrations