Geometry & MOs

Info

ID:

444493

PubChem CID:

135262626

Reduced:

O4N6C27H34 (1)

Stoich.:

A4B6C27D34 (1)

Weight, g/mol:

497.07618

ΔHf, kcal/mol:

-35.39

Dipole, Da:

4.32

IP(EA), eV:

 -8.9(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (1S,2S)-2-[5-[(5-bromo-2,4-difluorophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazin-2-yl]cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C3CCN(CC3)C4COC4)N(N=C2)C5=CC(=NC(=N5)OC)N6CCOC7(C6)COC7

DOS

IR

Vibrations