Geometry & MOs

Info

ID:	32948
PubChem CID:	7849668
Reduced:	SN2O5C19H24 (1)
Stoich.:	AB2C5D19E24 (1)
Weight, g/mol:	275.152144
ΔH_f, kcal/mol:	-195.1
Dipole, Da:	3.76
IP(EA), eV:	-10.29(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(2R)-butan-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)O[C@H](C)C(=O)NC2(CCCCC2)C#N

DOS

IR

Vibrations