Geometry & MOs

Info

ID:	63803
PubChem CID:	26759221
Reduced:	ClNSO3C20H20 (1)
Stoich.:	ABCD3E20F20 (1)
Weight, g/mol:	354.044106
ΔH_f, kcal/mol:	-101.72
Dipole, Da:	2.38
IP(EA), eV:	-8.54(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-chloro-5-methylsulfanylbenzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC2=C(CCC2)C=C1)OC(=O)C3=C(C=CC(=C3)SC)Cl

DOS

IR

Vibrations