Geometry & MOs

Info

ID:

190581

PubChem CID:

78023332

Reduced:

N2O5C17H24 (1)

Stoich.:

A2B5C17D24 (1)

Weight, g/mol:

792.386

ΔHf, kcal/mol:

-208.64

Dipole, Da:

3.39

IP(EA), eV:

 -10.12(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[2-[2-[5-[4-[4-[2-[1-[3-methyl-2-(pyrimidin-2-ylamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)OC)NC(=O)C(NC(=O)C1=CC=CC=C1)OC

DOS

IR

Vibrations