Geometry & MOs

Info

ID:	32448
PubChem CID:	7836182
Reduced:	SN3O4H15C19 (1)
Stoich.:	AB3C4D15E19 (1)
Weight, g/mol:	399.088892
ΔH_f, kcal/mol:	-51.13
Dipole, Da:	4.12
IP(EA), eV:	-9.13(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=CC=C1C#N)OC(=O)CSC2=NC3=CC=CC=C3O2

DOS

IR

Vibrations