Geometry & MOs

Info

ID:	148659
PubChem CID:	53788327
Reduced:	OC7H10 (3)
Stoich.:	AB7C10 (3)
Weight, g/mol:	554.207782
ΔH_f, kcal/mol:	-143.64
Dipole, Da:	3.47
IP(EA), eV:	-9.0(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-fluorophenyl)-5-[2-(furan-2-ylmethylamino)pyrimidin-4-yl]-1H-imidazol-2-yl]-5-methyl-N-phenyl-1,3-dioxane-5-carboxamide

Drug info:

PubChemData

Smile

CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(C(C(C=C4)O)O)C)C

DOS

IR

Vibrations