Geometry & MOs

Info

ID:

185479

PubChem CID:

77302689

Reduced:

BrN2O2C24H31 (1)

Stoich.:

AB2C2D24E31 (1)

Weight, g/mol:

793.427531

ΔHf, kcal/mol:

-4.27

Dipole, Da:

8.14

IP(EA), eV:

 -8.73(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-[5-[[6-[4-[2-[1-[2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-2-methylpyridin-3-yl]carbamoyl]pyridin-2-yl]-2,5-dimethylpiperazine-1-carboxylate

Drug info:

PubChemData

Smile

CCCCCCN(C)C(=O)C1C2C=CC(C1C(=O)NC3=CC=C(C=C3)Br)C24CC4

DOS

IR

Vibrations