Geometry & MOs

Info

ID:

448883

PubChem CID:

135294256

Reduced:

FON6C29H45 (1)

Stoich.:

ABC6D29E45 (1)

Weight, g/mol:

501.257375

ΔHf, kcal/mol:

-56.22

Dipole, Da:

11.23

IP(EA), eV:

 -8.95(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(5-fluorothiophen-2-yl)-3-[3-[2-methyl-5-(2-methylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]formamide

Drug info:

PubChemData

Smile

CCC(CC(C=C)N(C)CCC(C1=CN=C(C=C1)F)NC(=O)C2CCCCC2)N3C(=NN=C3C(C)C)C

DOS

IR

Vibrations