Geometry & MOs

Info

ID:	218749
PubChem CID:	85089904
Reduced:	NSO6H25C28 (1)
Stoich.:	ABC6D25E28 (1)
Weight, g/mol:	503.251917
ΔH_f, kcal/mol:	-119.61
Dipole, Da:	4.58
IP(EA), eV:	-8.41(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-hydroxy-3-(methoxymethoxy)-2-[5-[2-[(4-methoxyphenyl)methoxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)C1=CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4(C3=O)SC6=CC=CC=N6)OC)OC

DOS

IR

Vibrations