Geometry & MOs

Info

ID:

320049

PubChem CID:

126658098

Reduced:

NC14H27 (2)

Stoich.:

AB14C27 (2)

Weight, g/mol:

981.492416

ΔHf, kcal/mol:

-96.94

Dipole, Da:

0.68

IP(EA), eV:

 -8.19(2.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[1-[(2S)-2-[6-[(2R,5R)-1-[4-[(3-ethyloxetan-3-yl)methoxy]-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

CC(C)(C)C1CCCCN1C(C)(C)CCC(C)(C)C2CC3CCCC3N2C(C)(C)C

DOS

IR

Vibrations