Geometry & MOs

Info

ID:

82426

PubChem CID:

49856018

Reduced:

SF4N5O8C35H47 (1)

Stoich.:

AB4C5D8E35F47 (1)

Weight, g/mol:

555.495808

ΔHf, kcal/mol:

-510.87

Dipole, Da:

11.67

IP(EA), eV:

 -9.85(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2S,5S)-N-[4-amino-1-(1,2,2,3,3,4,4-heptadeuteriocyclobutyl)-3,4-dioxobutan-2-yl]-3-[(2S)-2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]carbamoylamino]-4,4-dimethylpentanoyl]-6,6-bis(trideuteriomethyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide

Drug info:

PubChemData

Smile

CC1(CC/C=C/C(C2=C(N=CC=C2)OC3C[C@H](N(C3)C(=O)[C@@H](NC(=O)OC1)C(C)(C)C)C(=O)NC4(C[C@H]4C(F)F)C(=O)NS(=O)(=O)C5(CC5)C)(F)F)C

DOS

IR

Vibrations