Geometry & MOs

Info

ID:	148133
PubChem CID:	53787795
Reduced:	ClNO3H18C20 (1)
Stoich.:	ABC3D18E20 (1)
Weight, g/mol:	422.201302
ΔH_f, kcal/mol:	-65.55
Dipole, Da:	3.55
IP(EA), eV:	-8.38(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-cyanophenyl)-5-[3-(4-methoxyphenyl)propanoyl-methylamino]-4-oxopentan-2-yl]boronic acid

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C3C(=C2C4=CC=C(C=C4)Cl)CCC(=O)N3)OC

DOS

IR

Vibrations