Geometry & MOs

Info

ID:	432118
PubChem CID:	135172250
Reduced:	SO4N5C23H33 (1)
Stoich.:	AB4C5D23E33 (1)
Weight, g/mol:	488.206897
ΔH_f, kcal/mol:	-128.2
Dipole, Da:	2.12
IP(EA), eV:	-8.89(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[4-[[(2R)-2-methoxypropyl]-[(2S)-2-methylbutyl]amino]-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-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)C(=O)NC

DOS

IR

Vibrations