Geometry & MOs

Info

ID:	218759
PubChem CID:	85089926
Reduced:	Cl2N2O5C25H26 (1)
Stoich.:	A2B2C5D25E26 (1)
Weight, g/mol:	505.238196
ΔH_f, kcal/mol:	-187.68
Dipole, Da:	5.09
IP(EA), eV:	-8.71(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(benzylamino)-4-cyclohexyl-4-diphenylphosphoryl-3-hydroxybutanoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NC2CCC(=O)N(C2=O)CC3=C(C=CC=C3Cl)Cl)OC4CCCC4

DOS

IR

Vibrations