Geometry & MOs

Info

ID:	414930
PubChem CID:	135087910
Reduced:	ON5C25H33 (1)
Stoich.:	AB5C25D33 (1)
Weight, g/mol:	425.063462
ΔH_f, kcal/mol:	6.97
Dipole, Da:	2.69
IP(EA), eV:	-8.42(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,4R)-7-(4-chlorophenyl)sulfonyl-N-methyl-2-(1,3-thiazol-4-ylmethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)CC(=O)N2CCCC3(C2)CCC4=CN=C(N=C34)C5=CC=CC=C5

DOS

IR

Vibrations