Geometry & MOs

Info

ID:

190000

PubChem CID:

77938090

Reduced:

ClN4O8C30H39 (1)

Stoich.:

AB4C8D30E39 (1)

Weight, g/mol:

603.14548

ΔHf, kcal/mol:

-309.76

Dipole, Da:

3.92

IP(EA), eV:

 -9.4(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[5-(2-hydroxyethoxy)-4-[[5-iodo-4-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]amino]-2-methylphenyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CCCCCC=CC1CC1C(=O)O)C(=O)N2CC(CC2C(=O)N)OC3=NC4=C(O3)C=CC(=C4)Cl

DOS

IR

Vibrations