Geometry & MOs

Info

ID:	224226
PubChem CID:	85340299
Reduced:	NOSC23H39 (1)
Stoich.:	ABCD23E39 (1)
Weight, g/mol:	380.138148
ΔH_f, kcal/mol:	-97.58
Dipole, Da:	0.89
IP(EA), eV:	-8.9(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2,5-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-3-(trifluoromethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2NCCCCS)CC=C4C3(CCC(C4)O)C

DOS

IR

Vibrations