Geometry & MOs

Info

ID:

187680

PubChem CID:

77608870

Reduced:

ClO4N5C27H32 (1)

Stoich.:

AB4C5D27E32 (1)

Weight, g/mol:

712.32523

ΔHf, kcal/mol:

-137.74

Dipole, Da:

1.57

IP(EA), eV:

 -8.83(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=C(N1)C(=O)NC)C2=CC=C(C=C2)CC(CC(=O)NC)NC(=O)C3=CC(=C(C=C3)OC(C)C)Cl

DOS

IR

Vibrations