Geometry & MOs

Info

ID:

178710

PubChem CID:

76371689

Reduced:

ClO13N14C75H91 (1)

Stoich.:

AB13C14D75E91 (1)

Weight, g/mol:

488.270879

ΔHf, kcal/mol:

-499.59

Dipole, Da:

12.14

IP(EA), eV:

 -8.09(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[1-(diethylamino)-1-oxobutan-2-yl]-(4-methylcyclohexanecarbonyl)amino]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)N1CCCC1C(=O)NC(C)C(=O)N)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CCCCN)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CO)NC(=O)C(CC5=CN=CC=C5)NC(=O)C(CC6=CC=C(C=C6)Cl)NC(=O)C(CC7=CC8=CC=CC=C8C=C7)NC(=O)C

DOS

IR

Vibrations