Geometry & MOs

Info

ID:	243817
PubChem CID:	99239835
Reduced:	BrON3H20C21 (1)
Stoich.:	ABC3D20E21 (1)
Weight, g/mol:	374.141262
ΔH_f, kcal/mol:	65.88
Dipole, Da:	5.37
IP(EA), eV:	-9.3(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoylamino]phenyl]-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

C1CC1C2=C(C(=NN2)C(=O)NCC(C3=CC=CC=C3)C4=CC=CC=C4)Br

DOS

IR

Vibrations