Geometry & MOs

Info

ID:	63804
PubChem CID:	26759222
Reduced:	ClSN2O4C15H15 (1)
Stoich.:	ABC2D4E15F15 (1)
Weight, g/mol:	354.044106
ΔH_f, kcal/mol:	-96.02
Dipole, Da:	5.68
IP(EA), eV:	-8.82(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)[C@H](C)OC(=O)C2=C(C=CC(=C2)SC)Cl

DOS

IR

Vibrations