Geometry & MOs

Info

ID:	243821
PubChem CID:	99239866
Reduced:	BrN4O4C19H23 (1)
Stoich.:	AB4C4D19E23 (1)
Weight, g/mol:	353.086784
ΔH_f, kcal/mol:	-108.42
Dipole, Da:	3.52
IP(EA), eV:	-8.09(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=C(C=CC(=C1)NC(=O)C2=NNC(=C2Br)C3CC3)OC

DOS

IR

Vibrations