Geometry & MOs

Info

ID:	128665
PubChem CID:	51053749
Reduced:	SN5C21H27 (1)
Stoich.:	AB5C21D27 (1)
Weight, g/mol:	350.110042
ΔH_f, kcal/mol:	89.33
Dipole, Da:	5.33
IP(EA), eV:	-8.68(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[2-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

C1CCCN(CC1)CC2=NN=C3N2N=C(S3)CC4=CC5=C(CCCC5)C=C4

DOS

IR

Vibrations