Geometry & MOs

Info

ID:	38997
PubChem CID:	8138315
Reduced:	SO2N3C16H19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	373.03473
ΔH_f, kcal/mol:	-34.2
Dipole, Da:	1.38
IP(EA), eV:	-8.72(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(ethylamino)-1-oxopropan-2-yl] (2R)-2-[(4-bromophenyl)methylsulfanyl]propanoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)SCCC(=O)NNC(=O)C2=CC=CN2)C

DOS

IR

Vibrations