Geometry & MOs

Info

ID:	15757
PubChem CID:	449585
Reduced:	BrNSCl2O2C14H16 (1)
Stoich.:	ABCD2E2F14G16 (1)
Weight, g/mol:	410.94622
ΔH_f, kcal/mol:	-54.15
Dipole, Da:	5.47
IP(EA), eV:	-9.1(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R)-N-[(1R)-1-(4-bromophenyl)ethyl]-2,2-dichloro-3-methyl-1-methylsulfinylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1[C@](C1(Cl)Cl)(C(=O)N[C@H](C)C2=CC=C(C=C2)Br)S(=O)C

DOS

IR

Vibrations