Geometry & MOs

Info

ID:	220386
PubChem CID:	85182322
Reduced:	N2O10C21H32 (1)
Stoich.:	A2B10C21D32 (1)
Weight, g/mol:	472.166808
ΔH_f, kcal/mol:	-478.18
Dipole, Da:	4.15
IP(EA), eV:	-9.72(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[1-(4-methylphenyl)sulfonylindol-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(C(O1)OC(=O)C)NC(=O)NC2CCCCC2)OC(=O)C)OC(=O)C

DOS

IR

Vibrations