Geometry & MOs

Info

ID:	344182
PubChem CID:	127267358
Reduced:	NOSC8H9 (2)
Stoich.:	ABCD8E9 (2)
Weight, g/mol:	336.077993
ΔH_f, kcal/mol:	-18.98
Dipole, Da:	3.48
IP(EA), eV:	-8.53(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[(2-benzylsulfanyl-1,3-oxazole-4-carbonyl)amino]-3-hydroxypropanoate

Drug info:

PubChemData

Smile

C1CN(CCSC1)C(=O)C2=COC(=N2)SCC3=CC=CC=C3

DOS

IR

Vibrations