Geometry & MOs

Info

ID:

185475

PubChem CID:

77302685

Reduced:

BrO2N4H25C27 (1)

Stoich.:

AB2C4D25E27 (1)

Weight, g/mol:

750.326515

ΔHf, kcal/mol:

96.45

Dipole, Da:

7.3

IP(EA), eV:

 -8.64(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC12C3C=CC2C(C3CNC(=O)C4=CC=NN4C5=CC=CC=C5)C(=O)NC6=CC=C(C=C6)Br

DOS

IR

Vibrations