Geometry & MOs

Info

ID:	317961
PubChem CID:	126648006
Reduced:	SCl2F3N5O9C62H88 (1)
Stoich.:	AB2C3D5E9F62G88 (1)
Weight, g/mol:	357.194935
ΔH_f, kcal/mol:	-570.31
Dipole, Da:	4.2
IP(EA), eV:	-8.85(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methylnonan-4-yl)-1-(trifluoromethylsulfonyl)piperidine

Drug info:

Smile

CC(C)(C)OCCCCCC(=O)NCCCOCC[C@H]1CCCCC(CC1)OCCOCCCNC(=O)CCCCCOC2=NC3=C(C=C(C=C3)C(C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)C(=C2)NC6CCN(CC6)S(=O)(=O)C(F)(F)F

DOS

IR

Vibrations