Geometry & MOs

Info

ID:

226560

PubChem CID:

87544095

Reduced:

N3O5C27H32 (2)

Stoich.:

A3B5C27D32 (2)

Weight, g/mol:

455.08445

ΔHf, kcal/mol:

-301.65

Dipole, Da:

6.36

IP(EA), eV:

 -9.42(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(5-bromopyrimidin-2-yl)-N-[(2-methylpropan-2-yl)oxy]-3-phenylmethoxybenzamide

Drug info:

PubChemData

Smile

CC1(C[C@H](C2=C(C1=O)C=CC(=C2)OC)NC[C@@H]([C@H](CC3=CC(=CC=C3)C#N)NC(=O)C(C(C(=O)N[C@@H](CC4=CC(=CC=C4)C#N)[C@H](CN[C@H]5CC(C(=O)C6=C5C=C(C=C6)OC)(C)C)O)OC)OC)O)C

DOS

IR

Vibrations