Geometry & MOs

Info

ID:

125906

PubChem CID:

50943363

Reduced:

N5O14C36H61 (1)

Stoich.:

A5B14C36D61 (1)

Weight, g/mol:

512.231808

ΔHf, kcal/mol:

-628.07

Dipole, Da:

5.5

IP(EA), eV:

 -8.99(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[1-[2-[[4-(methanesulfonamido)cyclohexyl]amino]pyrimidin-4-yl]indol-4-yl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(=O)OC1CC(N(C(C1)(C)C)OC(=O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)ON2C(CC(CC2(C)C)OC(=O)C)(C)C)(C)C

DOS

IR

Vibrations