Geometry & MOs

Info

ID:

320073

PubChem CID:

126658135

Reduced:

SO4N6C29H36 (1)

Stoich.:

AB4C6D29E36 (1)

Weight, g/mol:

986.478992

ΔHf, kcal/mol:

-88.28

Dipole, Da:

3.44

IP(EA), eV:

 -8.94(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[1-[(2S)-2-[6-[(2R,5R)-1-[4-(4,4-difluoropiperidin-1-yl)-3,5-difluorophenyl]-5-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC(C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)NC3=C(N=C(S3)C4=NC=CO4)C5=CC=CC=C5)NC

DOS

IR

Vibrations