Geometry & MOs

Info

ID:	156135
PubChem CID:	56369280
Reduced:	BrClO2N3C18H25 (1)
Stoich.:	ABC2D3E18F25 (1)
Weight, g/mol:	400.021931
ΔH_f, kcal/mol:	-89.64
Dipole, Da:	8.61
IP(EA), eV:	-9.51(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-imidazol-1-ylphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CCCCCCNC(=O)C1CCCN(C1)C(=O)C2=C(N=CC(=C2)Br)Cl

DOS

IR

Vibrations