Geometry & MOs

Info

ID:

80828

PubChem CID:

49846382

Reduced:

ClSF2O6N8C49H55 (1)

Stoich.:

ABC2D6E8F49G55 (1)

Weight, g/mol:

936.596143

ΔHf, kcal/mol:

-179.99

Dipole, Da:

11.49

IP(EA), eV:

 -8.53(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

trideuteriomethyl N-[(2S)-1-[[(2S,3S)-3-hydroxy-1-phenyl-4-[(4-pyridin-2-ylphenyl)methyl-[[(2S)-4,4,4-trideuterio-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxycarbonylamino]-3,3-bis(trideuteriomethyl)butanoyl]amino]amino]butan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NC6CCC(CC6)N7CCC(C7)(F)F)[N+](=O)[O-])OC8=CN=C9C(=C8)C=CN9)C

DOS

IR

Vibrations