Geometry & MOs

Info

ID:	36532
PubChem CID:	8008060
Reduced:	SN2O2C15H18 (1)
Stoich.:	AB2C2D15E18 (1)
Weight, g/mol:	360.12407
ΔH_f, kcal/mol:	-57.8
Dipole, Da:	3.44
IP(EA), eV:	-9.01(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-amino-5-chlorobenzoate

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)CNC(=O)CCC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations