Geometry & MOs

Info

ID:	43785
PubChem CID:	10321789
Reduced:	O2N7C25H25 (1)
Stoich.:	A2B7C25D25 (1)
Weight, g/mol:	455.24833
ΔH_f, kcal/mol:	64.5
Dipole, Da:	4.74
IP(EA), eV:	-8.87(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-7-[(1R,2R,3R,5S)-2-(3,3-difluoro-3-phenoxypropyl)-3,5-dihydroxycyclopentyl]-N-(2-methoxyethyl)hept-5-enamide

Drug info:

PubChemData

Smile

CC(C)NC1=NC=CC(=N1)N2CC3=C(C2)NN=C3NC(=O)C4=CC(=CC=C4)OC5=CC=CC=C5

DOS

IR

Vibrations