Geometry & MOs

Info

ID:	32439
PubChem CID:	7836011
Reduced:	NSC14H23 (1)
Stoich.:	ABC14D23 (1)
Weight, g/mol:	336.114378
ΔH_f, kcal/mol:	-11.78
Dipole, Da:	1.04
IP(EA), eV:	-8.86(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@@H]([C@@H]1C)NCC2=CC=C(S2)C

DOS

IR

Vibrations