Geometry & MOs

Info

ID:

124986

PubChem CID:

50906366

Reduced:

SN3O4C35H47 (1)

Stoich.:

AB3C4D35E47 (1)

Weight, g/mol:

579.313078

ΔHf, kcal/mol:

-127.19

Dipole, Da:

8.65

IP(EA), eV:

 -8.89(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[4-[2-[(dimethylamino)methyl]pyridin-4-yl]oxycyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1CCC(CC1)C(=O)N(C2CCC(CC2)OC3=CC(=NC=C3)CN4CCCC4)C5=C(SC(=C5)C#CC(C)(C)C)C(=O)O

DOS

IR

Vibrations