Geometry & MOs

Info

ID:	449254
PubChem CID:	135297186
Reduced:	S3C6H14 (1)
Stoich.:	A3B6C14 (1)
Weight, g/mol:	371.149951
ΔH_f, kcal/mol:	-4.34
Dipole, Da:	3.93
IP(EA), eV:	-8.3(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-3-(3-chloro-4-ethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Drug info:

PubChemData

Smile

CC(C(SC)SC)SC

DOS

IR

Vibrations