Geometry & MOs

Info

ID:	62368
PubChem CID:	26719640
Reduced:	BrSN3O3H14C18 (1)
Stoich.:	ABC3D3E14F18 (1)
Weight, g/mol:	367.099063
ΔH_f, kcal/mol:	25.66
Dipole, Da:	8.76
IP(EA), eV:	-9.38(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethylphenyl)-N-(2-methyl-5-nitrophenyl)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC2=CSC(=N2)C3=CC(=CC=C3)Br

DOS

IR

Vibrations