Geometry & MOs

Info

ID:	38802
PubChem CID:	8137947
Reduced:	SN3O3C21H23 (1)
Stoich.:	AB3C3D21E23 (1)
Weight, g/mol:	367.178358
ΔH_f, kcal/mol:	-9.93
Dipole, Da:	2.47
IP(EA), eV:	-8.94(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-butoxybenzoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NOC(=N2)CCCCCNC(=O)/C=C/C3=CC=CS3

DOS

IR

Vibrations