Geometry & MOs

Info

ID:

297442

PubChem CID:

117617651

Reduced:

ClFON4H24C26 (1)

Stoich.:

ABCD4E24F26 (1)

Weight, g/mol:

822.40173

ΔHf, kcal/mol:

22.62

Dipole, Da:

6.33

IP(EA), eV:

 -8.9(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(1R)-2-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-2-fluorophenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate

Drug info:

PubChemData

Smile

CC1=C2C(=NC=C1C3=COC(=C3)C4=CN=CC=C4)NCCCN2CC5=C(C=CC(=C5)CF)Cl

DOS

IR

Vibrations