Geometry & MOs

Info

ID:	180597
PubChem CID:	76658956
Reduced:	NSO4C25H39 (1)
Stoich.:	ABC4D25E39 (1)
Weight, g/mol:	493.15928
ΔH_f, kcal/mol:	-198.32
Dipole, Da:	6.57
IP(EA), eV:	-8.09(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C2=CC=CC(=C2)CC(=O)C3CCC(CC3)CS(=O)(=O)C(C)(C)C

DOS

IR

Vibrations