Geometry & MOs

Info

ID:	35914
PubChem CID:	7980484
Reduced:	ClNO5H18C22 (1)
Stoich.:	ABC5D18E22 (1)
Weight, g/mol:	383.173273
ΔH_f, kcal/mol:	-146.08
Dipole, Da:	3.19
IP(EA), eV:	-9.44(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]acetate

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CCCC1)OC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)Cl

DOS

IR

Vibrations