Geometry & MOs

Info

ID:	300054
PubChem CID:	118051043
Reduced:	BrINO2H9C10 (1)
Stoich.:	ABCD2E9F10 (1)
Weight, g/mol:	514.089612
ΔH_f, kcal/mol:	-44.37
Dipole, Da:	4.49
IP(EA), eV:	-9.12(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopropyl-4-[[1-[(1R)-1-(3,5-dichlorophenyl)ethyl]azetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide

Drug info:

PubChemData

Smile

C1[C@@H](OC(=O)N1C2=CC=C(C=C2)Br)CI

DOS

IR

Vibrations