Geometry & MOs

Info

ID:	61591
PubChem CID:	26710817
Reduced:	O2S3N4H14C17 (1)
Stoich.:	A2B3C4D14E17 (1)
Weight, g/mol:	497.071311
ΔH_f, kcal/mol:	18.47
Dipole, Da:	3.57
IP(EA), eV:	-8.99(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C2=CC=C(S2)CNC(=O)CN3C=NC4=C(C3=O)C=CS4

DOS

IR

Vibrations