Geometry & MOs

Info

ID:

229121

PubChem CID:

87567001

Reduced:

PC6O9H13 (2)

Stoich.:

AB6C9D13 (2)

Weight, g/mol:

984.383795

ΔHf, kcal/mol:

-931.09

Dipole, Da:

5.92

IP(EA), eV:

 -10.55(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(2-hydroxy-3-methyl-1-morpholin-4-ylbutyl)pyridin-2-yl]amino]thiophene-3-carboxamide;5-(2-fluorophenyl)-2-[[6-(1-hydroxy-2-morpholin-4-ylethyl)pyridin-2-yl]amino]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O.C([C@H]([C@H]([C@@H](C(=O)COP(=O)(O)O)O)O)O)O

DOS

IR

Vibrations