Geometry & MOs

Info

ID:	68497
PubChem CID:	46508525
Reduced:	SN4O5C17H24 (1)
Stoich.:	AB4C5D17E24 (1)
Weight, g/mol:	444.208279
ΔH_f, kcal/mol:	-191.05
Dipole, Da:	10.51
IP(EA), eV:	-9.05(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylanilino]methyl]-2,4,6-trimethylphenyl]ethanone

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)NCC(=O)N3CCNC3=O

DOS

IR

Vibrations