Geometry & MOs

Info

ID:

80089

PubChem CID:

49832827

Reduced:

BN3O6H20C21 (1)

Stoich.:

AB3C6D20E21 (1)

Weight, g/mol:

679.320826

ΔHf, kcal/mol:

-73.98

Dipole, Da:

6.24

IP(EA), eV:

 -7.22(-2.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1-methylpiperidin-4-yl) N-[4-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-chloro-5-methoxyanilino]-4-oxobutyl]-2-phenylphenyl]carbamate

Drug info:

PubChemData

Smile

B1([C@H](CC2=C(O1)C(=CC=C2)C(=O)O)NC(=O)C3=CC=CC(=C3)CNC4=NOC(=C4)C)O

DOS

IR

Vibrations