Geometry & MOs

Info

ID:	191570
PubChem CID:	78164835
Reduced:	SO3N5C23H33 (1)
Stoich.:	AB3C5D23E33 (1)
Weight, g/mol:	474.191246
ΔH_f, kcal/mol:	-75.43
Dipole, Da:	3.26
IP(EA), eV:	-8.58(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-ylsulfonyl)-N-ethyl-N-[[2-(trifluoromethyl)phenyl]methyl]azetidine-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1C#N)C(=O)C2CCN(CC2)S(=O)(=O)C3CCC4CNNC4C3

DOS

IR

Vibrations