Geometry & MOs

Info

ID:	193941
PubChem CID:	78459489
Reduced:	FSN4O5C17H26 (1)
Stoich.:	ABC4D5E17F26 (1)
Weight, g/mol:	383.173273
ΔH_f, kcal/mol:	-219.12
Dipole, Da:	8.89
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.958255
Charge, e:	0

Chem-info

IUPAC name:

[1-(benzylamino)-1-oxopropan-2-yl] 4-(4-acetylphenoxy)butanoate

Drug info:

PubChemData

Smile

C[NH+](C)CCCNC(=O)C(=O)NCC1N(CCO1)S(=O)(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations