Geometry & MOs

Info

ID:	303576
PubChem CID:	124489921
Reduced:	ClN2O3C16H19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	350.110042
ΔH_f, kcal/mol:	-117.15
Dipole, Da:	4.14
IP(EA), eV:	-9.11(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-[[2-(2-fluorophenyl)-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)CN1C=CC2=C1C=C(C=C2)Cl

DOS

IR

Vibrations