Geometry & MOs

Info

ID:

53615

PubChem CID:

14717161

Reduced:

S2N5O6C51H83 (1)

Stoich.:

A2B5C6D51E83 (1)

Weight, g/mol:

571.365304

ΔHf, kcal/mol:

-242.74

Dipole, Da:

9.93

IP(EA), eV:

 -8.0(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[3-(7-chloro-6-propan-2-yl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]hexanamide

Drug info:

PubChemData

Smile

CCCCCCCCOC1=C(C=C(C=C1)C(C)(C)CCCCC)S(=O)(=O)NCC(C)(C)C2=NN=C3N2NC(=C3SC4=C(C=CC(=C4)C(C)(C)CCCCC)OCCCC)OCCOC

DOS

IR

Vibrations