Geometry & MOs

Info

ID:	228368
PubChem CID:	87564102
Reduced:	NOZnC2H6 (1)
Stoich.:	ABCD2E6 (1)
Weight, g/mol:	479.199111
ΔH_f, kcal/mol:	-160.64
Dipole, Da:	8.1
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 3.527974
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-[[2-(propylcarbamoyl)phenyl]carbamoylamino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

C([CH-]O)N.[Zn]

DOS

IR

Vibrations