Geometry & MOs

Info

ID:	40984
PubChem CID:	8145069
Reduced:	OSN2H18C19 (1)
Stoich.:	ABC2D18E19 (1)
Weight, g/mol:	399.168188
ΔH_f, kcal/mol:	10.87
Dipole, Da:	8.41
IP(EA), eV:	-9.16(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R,4aS,6R,7S,8S,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

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)SC3=CC4=C(CCC4)C=C3

DOS

IR

Vibrations