Geometry & MOs

Info

ID:	245602
PubChem CID:	99455533
Reduced:	ClFSN3O3H17C22 (1)
Stoich.:	ABCD3E3F17G22 (1)
Weight, g/mol:	411.219178
ΔH_f, kcal/mol:	-89.57
Dipole, Da:	5.45
IP(EA), eV:	-8.38(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide

Drug info:

PubChemData

Smile

CC1=CC2=C(N1)C=CC(=C2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)NC4=CC=C(C=C4)F)Cl

DOS

IR

Vibrations