Geometry & MOs

Info

ID:	36791
PubChem CID:	8012749
Reduced:	SN2O3C19H20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	391.153206
ΔH_f, kcal/mol:	-84.06
Dipole, Da:	2.93
IP(EA), eV:	-8.77(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)C=C(S2)C(=O)N3C[C@H](OC4=CC=CC=C43)C(=O)N

DOS

IR

Vibrations