Geometry & MOs

Info

ID:	40986
PubChem CID:	8145071
Reduced:	ClFN2O2H18C22 (1)
Stoich.:	ABC2D2E18F22 (1)
Weight, g/mol:	399.168188
ΔH_f, kcal/mol:	-66.61
Dipole, Da:	5.69
IP(EA), eV:	-9.03(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R,4aS,6R,7R,8R,8aS)-6,8-dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H](CC(=O)NC2=C(C=C(C=C2)Cl)F)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations