Geometry & MOs

Info

ID:

312469

PubChem CID:

126605502

Reduced:

FO3N6C25H31 (1)

Stoich.:

AB3C6D25E31 (1)

Weight, g/mol:

740.325766

ΔHf, kcal/mol:

-119.69

Dipole, Da:

7.0

IP(EA), eV:

 -8.81(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[2-[(2S)-2-[5-[4-[4-[[4-(1-formylpiperidin-4-yl)piperazine-1-carbonyl]amino]-2-(trifluoromethoxy)phenyl]phenyl]-1H-imidazol-2-yl]-5-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1CC3=NC4=C(N=C(N=C4N3CCC5CCN(CC5)C(=O)[C@H](C)O)F)N)OCC2

DOS

IR

Vibrations