Geometry & MOs

Info

ID:

227854

PubChem CID:

87562721

Reduced:

BrO4N11C52H60 (1)

Stoich.:

AB4C11D52E60 (1)

Weight, g/mol:

386.206639

ΔHf, kcal/mol:

-28.81

Dipole, Da:

10.13

IP(EA), eV:

 -8.59(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3-acetamidoanilino)-4-[hydroxy-[(2R)-4-methylpentan-2-yl]amino]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)CN1C2=NN(C(=C2C(=O)N(C1=O)C)NC3=CC=CC=C3)CC4=CC=C(C=C4)CN5CCCC5.CC(C)CN1C2=NN(C(=C2C(=O)N(C1=O)C)NC3=CC=CC=C3)CC4=CC=C(C=C4)CBr

DOS

IR

Vibrations