Geometry & MOs

Info

ID:

186644

PubChem CID:

77460476

Reduced:

SN6O7C42H70 (1)

Stoich.:

AB6C7D42E70 (1)

Weight, g/mol:

778.408769

ΔHf, kcal/mol:

-323.76

Dipole, Da:

5.29

IP(EA), eV:

 -9.04(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[2-[[2-cyclohexyl-2-(pyridine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide

Drug info:

PubChemData

Smile

CCC1CC1(C(=O)NS(=O)(=O)C2CC2)NC(=O)C3CC4(CN3C(=O)C(C(C)(C)C)NC(=O)C(C(C)(C)C)NC(=O)C5CCCCN5C(C)C)C(C46CCC6)(C)C

DOS

IR

Vibrations