Geometry & MOs

Info

ID:	157360
PubChem CID:	56423120
Reduced:	S2O4N5C22H23 (1)
Stoich.:	A2B4C5D22E23 (1)
Weight, g/mol:	408.161997
ΔH_f, kcal/mol:	-69.05
Dipole, Da:	6.91
IP(EA), eV:	-9.28(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[3-methyl-1-oxo-1-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methylamino]butan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=NC(=CS3)C4=CC=NC=C4

DOS

IR

Vibrations