Geometry & MOs

Info

ID:	32446
PubChem CID:	7836092
Reduced:	NSO6H15C20 (1)
Stoich.:	ABC6D15E20 (1)
Weight, g/mol:	388.145678
ΔH_f, kcal/mol:	-148.98
Dipole, Da:	3.82
IP(EA), eV:	-9.06(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CSC3=NC4=CC=CC=C4O3

DOS

IR

Vibrations