Geometry & MOs

Info

ID:	322353
PubChem CID:	126669893
Reduced:	ClON6C20H29 (1)
Stoich.:	ABC6D20E29 (1)
Weight, g/mol:	480.158263
ΔH_f, kcal/mol:	9.63
Dipole, Da:	5.53
IP(EA), eV:	-8.49(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(4-chlorophenyl)-2-[[3-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]propanoate

Drug info:

PubChemData

Smile

COC1CCN([C@H](C1)CC2=CC=C(C=C2)Cl)C3CCN(CC3)C4=NNC(=N4)N

DOS

IR

Vibrations