Geometry & MOs

Info

ID:	38679
PubChem CID:	8137419
Reduced:	ClSN3O3C15H18 (1)
Stoich.:	ABC3D3E15F18 (1)
Weight, g/mol:	307.141973
ΔH_f, kcal/mol:	-98.33
Dipole, Da:	5.52
IP(EA), eV:	-8.99(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate

Drug info:

PubChemData

Smile

C1CC1NC(=O)CNC(=O)CSCC(=O)NC2=CC=C(C=C2)Cl

DOS

IR

Vibrations