Geometry & MOs

Info

ID:	181864
PubChem CID:	76806063
Reduced:	NF2O3C10H13 (1)
Stoich.:	AB2C3D10E13 (1)
Weight, g/mol:	546.167202
ΔH_f, kcal/mol:	-226.06
Dipole, Da:	5.62
IP(EA), eV:	-10.42(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dimethoxy-3-(4-methoxy-6-methyl-9-pyrrolidin-1-ylsulfonyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-2-benzofuran-1-one

Drug info:

PubChemData

Smile

CC(=O)NC(C1CC2C(C1)C2(F)F)C(=O)O

DOS

IR

Vibrations