Geometry & MOs

Info

ID:

298655

PubChem CID:

117653579

Reduced:

ClFSN3O4H13C19 (1)

Stoich.:

ABCD3E4F13G19 (1)

Weight, g/mol:

978.430961

ΔHf, kcal/mol:

-85.36

Dipole, Da:

4.37

IP(EA), eV:

 -9.43(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[[4-[[5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-2-carbonyl]amino]piperidin-1-yl]methyl]phenyl]-14-oxo-2-(1H-thieno[3,4-d]imidazol-4-yl)-1,4,7,10-tetraoxa-13-azacyclooctadecane-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)Cl)OC2=C(C=C(C=C2)S(=O)(=O)NC3=NC=C(C=C3)F)C#N

DOS

IR

Vibrations