Geometry & MOs

Info

ID:	166286
PubChem CID:	74663028
Reduced:	S2N3O4C20H23 (1)
Stoich.:	A2B3C4D20E23 (1)
Weight, g/mol:	411.097429
ΔH_f, kcal/mol:	-92.94
Dipole, Da:	5.33
IP(EA), eV:	-9.35(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-fluoro-2-methylphenyl)sulfonyl-N-[(4-methylphenyl)methyl]-1,1-dioxothiolan-3-amine

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)CCNC(=O)C2=CC=CS2)S(=O)(=O)C=CC3=CC=CC=C3

DOS

IR

Vibrations