Geometry & MOs

Info

ID:	188426
PubChem CID:	77716342
Reduced:	SN2O2H10C14 (1)
Stoich.:	AB2C2D10E14 (1)
Weight, g/mol:	393.215138
ΔH_f, kcal/mol:	23.56
Dipole, Da:	3.51
IP(EA), eV:	-9.33(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)C3=NN=CC=C3

DOS

IR

Vibrations