Geometry & MOs

Info

ID:	84937
PubChem CID:	49870792
Reduced:	OF2N7H15C21 (1)
Stoich.:	AB2C7D15E21 (1)
Weight, g/mol:	411.240959
ΔH_f, kcal/mol:	-2.36
Dipole, Da:	4.41
IP(EA), eV:	-9.54(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-7-[(1S,5R)-5-[(E,3R)-3-hydroxy-4-phenoxybut-1-enyl]-4-oxocyclopent-2-en-1-yl]heptanamide

Drug info:

PubChemData

Smile

C[C@@H](C1=C(C(=O)N2C=CC=CC2=N1)C3=CC(=CC(=C3)F)F)NC4=NC=NC(=C4C#N)N

DOS

IR

Vibrations