Geometry & MOs

Info

ID:	136855
PubChem CID:	52112439
Reduced:	ClSO2N3H14C23 (1)
Stoich.:	ABC2D3E14F23 (1)
Weight, g/mol:	349.032161
ΔH_f, kcal/mol:	85.77
Dipole, Da:	4.15
IP(EA), eV:	-9.18(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(5-chloro-2-ethylsulfanylpyrimidine-4-carbonyl)amino]-4-methylsulfanylbutanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=C(O2)SC3=CC=C(C=C3)Cl)C4=NN=C(O4)C5=CC=CC=C5

DOS

IR

Vibrations