Geometry & MOs

Info

ID:

176602

PubChem CID:

76071978

Reduced:

ClFN6O9C58H82 (1)

Stoich.:

ABC6D9E58F82 (1)

Weight, g/mol:

446.158804

ΔHf, kcal/mol:

-490.04

Dipole, Da:

6.99

IP(EA), eV:

 -9.2(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[(2,6-difluorophenyl)methoxy]-2,6-dimethyl-N-(thiomorpholin-3-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H](CCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)OC1CCC(CC1)C(=O)[C@H](CC2=CC=C(C=C2)F)NC(=O)C3=CC4=CC(=NC=C4N3)Cl)[C@H]5CCC6[C@@]5([C@H](CC7C6[C@@H](CC8[C@@]7(CC[C@H](C8)O)C)O)O)C

DOS

IR

Vibrations