Geometry & MOs

Info

ID:	309350
PubChem CID:	126545597
Reduced:	SN2O7C23H28 (1)
Stoich.:	AB2C7D23E28 (1)
Weight, g/mol:	377.129694
ΔH_f, kcal/mol:	-178.35
Dipole, Da:	1.75
IP(EA), eV:	-8.75(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2-methyl-2-methylsulfonyl-3-[3-(4-prop-1-ynylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propanoate

Drug info:

PubChemData

Smile

CC(C[C@H]1CC(=NO1)C2=CC=C(C=C2)C3=CC=C(C=C3)OCCOC)(C(=O)NO)S(=O)(=O)C

DOS

IR

Vibrations