Geometry & MOs

Info

ID:	40991
PubChem CID:	8145078
Reduced:	SO2N4C21H28 (1)
Stoich.:	AB2C4D21E28 (1)
Weight, g/mol:	399.168188
ΔH_f, kcal/mol:	-16.09
Dipole, Da:	3.47
IP(EA), eV:	-8.21(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

CCOC(=O)C1CCN(CC1)CN2C(=S)N(C(=N2)C3CC3)CC4=CC=CC=C4

DOS

IR

Vibrations