Geometry & MOs

Info

ID:	134628
PubChem CID:	51729675
Reduced:	NOC12H14 (2)
Stoich.:	ABC12D14 (2)
Weight, g/mol:	449.234828
ΔH_f, kcal/mol:	-58.97
Dipole, Da:	3.64
IP(EA), eV:	-8.93(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(butylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide

Drug info:

PubChemData

Smile

C1C[C@H]2C[C@@H]1C[C@H]2CC(=O)NC3=CC=CC=C3C(=O)NCCC4=CC=CC=C4

DOS

IR

Vibrations