Geometry & MOs

Info

ID:

189139

PubChem CID:

77821853

Reduced:

SN5O6C31H51 (1)

Stoich.:

AB5C6D31E51 (1)

Weight, g/mol:

576.332508

ΔHf, kcal/mol:

-265.95

Dipole, Da:

7.16

IP(EA), eV:

 -9.24(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[2-(3-cyano-2-azabicyclo[3.1.0]hexan-2-yl)prop-2-enylamino]propyl]-N-methyl-13-[1-(methylamino)ethenyl]-2-(1H-1,2,4-triazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C(CN(C)S(=O)(=O)C1=CC=CC=C1)NC(=O)NC(CCCCCCCC2CC2(C(=O)O)N)C(=O)N3CCCC3

DOS

IR

Vibrations