Geometry & MOs

Info

ID:	390627
PubChem CID:	135000060
Reduced:	OSeC10H15 (1)
Stoich.:	ABC10D15 (1)
Weight, g/mol:	487.104069
ΔH_f, kcal/mol:	-24.92
Dipole, Da:	3.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755692
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N,N-bis[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(=O)C2[Se])C)C

DOS

IR

Vibrations