Geometry & MOs

Info

ID:	303802
PubChem CID:	124490196
Reduced:	ClC17H19 (1)
Stoich.:	AB17C19 (1)
Weight, g/mol:	384.168522
ΔH_f, kcal/mol:	14.33
Dipole, Da:	2.37
IP(EA), eV:	-9.39(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S,4aS,6S,7S,8S,8aR)-8-amino-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=CC=C1[C@H](C2=CC=CC=C2)Cl

DOS

IR

Vibrations