Geometry & MOs

Info

ID:

309291

PubChem CID:

126542670

Reduced:

OCl2N6C26H30 (1)

Stoich.:

AB2C6D26E30 (1)

Weight, g/mol:

740.353363

ΔHf, kcal/mol:

18.3

Dipole, Da:

1.95

IP(EA), eV:

 -8.39(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[5-[3-methoxycarbonyl-4-[2-methoxycarbonyl-4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)CCNC1=NC=CC(=N1)C2=CC=C(C=C2)N3CCN(CC3)C(=O)NC4=C(C=CC=C4Cl)Cl

DOS

IR

Vibrations