Geometry & MOs

Info

ID:

316122

PubChem CID:

126630118

Reduced:

NOC6H7 (5)

Stoich.:

ABC6D7 (5)

Weight, g/mol:

860.202511

ΔHf, kcal/mol:

-63.44

Dipole, Da:

3.79

IP(EA), eV:

 -9.0(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[2-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxyethoxy]phenyl]methyl N-(2-methoxyethyl)carbamate

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N2CCC[C@H](N2)C(=O)O[C@@H](C3=CC4=CC(=NC=C4C=C3)/C=C/C(C(=O)NC(C(=O)N1)CC#C)(C)C)C

DOS

IR

Vibrations