Geometry & MOs

Info

ID:

322541

PubChem CID:

126670446

Reduced:

O2N8C29H36 (1)

Stoich.:

A2B8C29D36 (1)

Weight, g/mol:

848.400981

ΔHf, kcal/mol:

24.78

Dipole, Da:

3.79

IP(EA), eV:

 -8.51(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[2-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-phenylphenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C=C1NC2=NC=CC(=N2)N3C4=CC=CC=C4N(C3=O)C)NC(=O)C=C)N(C)CCN(C)C

DOS

IR

Vibrations