Geometry & MOs

Info

ID:	147073
PubChem CID:	53786681
Reduced:	SN3O3C27H55 (1)
Stoich.:	AB3C3D27E55 (1)
Weight, g/mol:	586.357072
ΔH_f, kcal/mol:	-233.5
Dipole, Da:	7.78
IP(EA), eV:	-9.03(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[8-[2-(4-fluorophenyl)pentan-2-yl]-5,5-dimethyl-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl] 4-piperidin-1-ylbutanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCSC[C@H](C(=O)N[C@@H](CCCCN)C(=O)O)N

DOS

IR

Vibrations