Geometry & MOs

Info

ID:	32959
PubChem CID:	7849681
Reduced:	SCl2O4H14C16 (1)
Stoich.:	AB2C4D14E16 (1)
Weight, g/mol:	314.163043
ΔH_f, kcal/mol:	-145.75
Dipole, Da:	4.56
IP(EA), eV:	-9.58(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] (E)-3-(2-methylphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations