Geometry & MOs

Info

ID:	133058
PubChem CID:	51470380
Reduced:	SO2N4C21H23 (1)
Stoich.:	AB2C4D21E23 (1)
Weight, g/mol:	394.210387
ΔH_f, kcal/mol:	19.26
Dipole, Da:	3.77
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.871022
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN=C(N2CC(=O)N[C@@H](C)C3=C(C=CC(=C3)C)OC)[S-]

DOS

IR

Vibrations