Geometry & MOs

Info

ID:	141549
PubChem CID:	52893270
Reduced:	BrSN2O3C15H21 (1)
Stoich.:	ABC2D3E15F21 (1)
Weight, g/mol:	233.141579
ΔH_f, kcal/mol:	-116.39
Dipole, Da:	6.03
IP(EA), eV:	-9.47(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-2-methyl-N-(2-propoxyphenyl)cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CCCCN1C(=O)[C@H](C)NS(=O)(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations