Geometry & MOs

Info

ID:

189131

PubChem CID:

77821067

Reduced:

SN5O7C36H49 (1)

Stoich.:

AB5C7D36E49 (1)

Weight, g/mol:

709.419668

ΔHf, kcal/mol:

-246.48

Dipole, Da:

7.31

IP(EA), eV:

 -8.71(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-cyclobutyl-2,3-dioxo-3-(prop-2-enylamino)propyl]-3-[2-[[1-[dimethylsulfamoyl(methyl)amino]-3,3-dimethylbutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C(C(=O)N1CCCC1C(=O)CC(CC=C)C(=O)NS(=O)(=O)C2CC2)NC(=O)NCCCC=CC3=CC4=C(C=C3)C=CN=C4OC

DOS

IR

Vibrations