Geometry & MOs

Info

ID:	180595
PubChem CID:	76658954
Reduced:	NSO4C22H35 (1)
Stoich.:	ABC4D22E35 (1)
Weight, g/mol:	423.24433
ΔH_f, kcal/mol:	-189.61
Dipole, Da:	8.26
IP(EA), eV:	-8.07(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-tert-butylsulfonyl-1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]heptan-2-one

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C2=CC=C(C=C2)CC(=O)CCCCCS(=O)(=O)C(C)C

DOS

IR

Vibrations