Geometry & MOs

Info

ID:	171418
PubChem CID:	75375587
Reduced:	BrSN2O2C12H13 (1)
Stoich.:	ABC2D2E12F13 (1)
Weight, g/mol:	300.183778
ΔH_f, kcal/mol:	-63.99
Dipole, Da:	3.24
IP(EA), eV:	-9.67(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2-phenylacetyl)amino]ethyl]bicyclo[4.1.0]heptane-7-carboxamide

Drug info:

PubChemData

Smile

C1C(NC(=O)S1)C(=O)NCCC2=CC=CC=C2Br

DOS

IR

Vibrations