Geometry & MOs

Info

ID:	156288
PubChem CID:	56369980
Reduced:	BrSO2N4C18H23 (1)
Stoich.:	ABC2D4E18F23 (1)
Weight, g/mol:	437.07726
ΔH_f, kcal/mol:	-53.33
Dipole, Da:	3.36
IP(EA), eV:	-9.39(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromophenyl)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=CS1)CNC(=O)NCCNC(=O)C2=CC(=CC=C2)Br

DOS

IR

Vibrations