Geometry & MOs

Info

ID:

300495

PubChem CID:

121360297

Reduced:

O6N10C45H54 (1)

Stoich.:

A6B10C45D54 (1)

Weight, g/mol:

636.160947

ΔHf, kcal/mol:

-176.17

Dipole, Da:

5.09

IP(EA), eV:

 -8.5(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(3R)-1-(5-chloroindolizine-2-carbonyl)piperidin-3-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC4=C(C=C3)N5C(=NC6=C(C5=C4)C=CC(=C6)C7=CN=C(N7)[C@H]8CCCN8C(=O)[C@H](C(C)C)NC(=O)OC)C

DOS

IR

Vibrations