Geometry & MOs

Info

ID:	197620
PubChem CID:	78983837
Reduced:	BrFOSN2H10C12 (1)
Stoich.:	ABCDE2F10G12 (1)
Weight, g/mol:	375.992
ΔH_f, kcal/mol:	-45.85
Dipole, Da:	3.55
IP(EA), eV:	-9.05(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(4-iodo-2-nitrophenyl)pyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC(=O)NCC2=C(C=CS2)Br)F

DOS

IR

Vibrations