Geometry & MOs

Info

ID:	61605
PubChem CID:	26710907
Reduced:	SN4O5C23H26 (1)
Stoich.:	AB4C5D23E26 (1)
Weight, g/mol:	479.080733
ΔH_f, kcal/mol:	-85.01
Dipole, Da:	11.99
IP(EA), eV:	-8.69(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(4-fluorophenyl)sulfonyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CNC4=CC=CC=C43

DOS

IR

Vibrations