Geometry & MOs

Info

ID:

185473

PubChem CID:

77302683

Reduced:

F4O7N8C44H52 (1)

Stoich.:

A4B7C8D44E52 (1)

Weight, g/mol:

664.348552

ΔHf, kcal/mol:

-459.78

Dipole, Da:

6.51

IP(EA), eV:

 -8.51(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[3-methyl-1-[2-[5-[4-[4-[[6-(2-methylpiperazin-1-yl)pyridine-3-carbonyl]amino]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1CN(C(CN1C(=O)OC(C)(C)C)C)C2=NC=C(C=C2)C(=O)NC3=C(C=C(C(=C3)OC(F)(F)F)C4=CC=C(C=C4)C5=CN=C(N5)C6CCCN6C(=O)C(C(C)C)NC(=O)OC)F

DOS

IR

Vibrations