Geometry & MOs

Info

ID:	39058
PubChem CID:	8138982
Reduced:	F2N2O2C20H21 (1)
Stoich.:	A2B2C2D20E21 (1)
Weight, g/mol:	357.157623
ΔH_f, kcal/mol:	-108.22
Dipole, Da:	5.71
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.157906
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)C4=CC(=C(C=C4)F)F

DOS

IR

Vibrations