Geometry & MOs

Info

ID:	303577
PubChem CID:	124489922
Reduced:	FSN2O3C17H19 (1)
Stoich.:	ABC2D3E17F19 (1)
Weight, g/mol:	366.080491
ΔH_f, kcal/mol:	-148.54
Dipole, Da:	7.79
IP(EA), eV:	-9.57(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)O)NC(=O)C1=C(N=C(S1)C2=CC=CC=C2F)C

DOS

IR

Vibrations