Geometry & MOs

Info

ID:	61547
PubChem CID:	26710382
Reduced:	BrFSN2O2C19H20 (1)
Stoich.:	ABCD2E2F19G20 (1)
Weight, g/mol:	460.163436
ΔH_f, kcal/mol:	-100.82
Dipole, Da:	4.88
IP(EA), eV:	-8.62(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[2-(4-methoxyphenoxy)ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)[C@@H](CCSC)NC(=O)C2=CC=CC=C2Br)F

DOS

IR

Vibrations