Geometry & MOs

Info

ID:	32447
PubChem CID:	7836162
Reduced:	SN2O4C20H24 (1)
Stoich.:	AB2C4D20E24 (1)
Weight, g/mol:	381.078327
ΔH_f, kcal/mol:	-125.13
Dipole, Da:	5.05
IP(EA), eV:	-9.19(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCCC1=CCCCC1)OC(=O)CSC2=NC3=CC=CC=C3O2

DOS

IR

Vibrations