Geometry & MOs

Info

ID:	128674
PubChem CID:	51053758
Reduced:	SO2N4C12H14 (1)
Stoich.:	AB2C4D12E14 (1)
Weight, g/mol:	368.066463
ΔH_f, kcal/mol:	24.61
Dipole, Da:	4.83
IP(EA), eV:	-9.01(-0.76)
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-methylsulfanylbutanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2C3=CNN(C3=NC(=O)CS2)C

DOS

IR

Vibrations