Geometry & MOs

Info

ID:	235851
PubChem CID:	92710868
Reduced:	SO4N5C24H35 (1)
Stoich.:	AB4C5D24E35 (1)
Weight, g/mol:	446.198777
ΔH_f, kcal/mol:	-131.99
Dipole, Da:	5.68
IP(EA), eV:	-9.14(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(CCN1C2=CC=CC(=C2)C)C(=O)CCN3C(=C(C(=N3)C)S(=O)(=O)N4CCOCC4)C

DOS

IR

Vibrations