Geometry & MOs

Info

ID:	124835
PubChem CID:	50898160
Reduced:	NO3C25H29 (1)
Stoich.:	AB3C25D29 (1)
Weight, g/mol:	458.187543
ΔH_f, kcal/mol:	-32.99
Dipole, Da:	3.68
IP(EA), eV:	-9.02(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide

Drug info:

PubChemData

Smile

C[C@H]1C=C([C@H]2[C@@H]([C@]1(CO[C@@H]2C3=CC=CC=C3)COC(=O)NC4=CC=CC=C4)C)C

DOS

IR

Vibrations