Geometry & MOs

Info

ID:	35858
PubChem CID:	7980411
Reduced:	NO2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	377.085242
ΔH_f, kcal/mol:	-177.21
Dipole, Da:	1.96
IP(EA), eV:	-9.76(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[4-(4-chlorophenyl)sulfanylbutanoylamino]acetate

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)NCC(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations