Geometry & MOs

Info

ID:	44406
PubChem CID:	10503397
Reduced:	NSO8H17C21 (1)
Stoich.:	ABC8D17E21 (1)
Weight, g/mol:	443.194402
ΔH_f, kcal/mol:	-266.43
Dipole, Da:	7.43
IP(EA), eV:	-9.2(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(6R,7R,8R)-7-methyl-8-(2,3,4-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]morpholine

Drug info:

PubChemData

Smile

CC(=O)OCC1=C(C2[C@@H]([C@@H](C2=O)NC(=O)C3=CC4=CC=CC=C4OC3=O)SC1)C(=O)O

DOS

IR

Vibrations