Geometry & MOs

Info

ID:

124987

PubChem CID:

50906367

Reduced:

SN3O4C33H45 (1)

Stoich.:

AB3C4D33E45 (1)

Weight, g/mol:

619.344378

ΔHf, kcal/mol:

-125.8

Dipole, Da:

8.97

IP(EA), eV:

 -8.58(-1.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(CC1)C(=O)N(C2CCC(CC2)OC3=CC(=NC=C3)CN(C)C)C4=C(SC(=C4)C#CC(C)(C)C)C(=O)O

DOS

IR

Vibrations