Geometry & MOs

Info

ID:	141209
PubChem CID:	52837920
Reduced:	NSO2C12H13 (2)
Stoich.:	ABC2D12E13 (2)
Weight, g/mol:	442.138485
ΔH_f, kcal/mol:	-84.64
Dipole, Da:	6.3
IP(EA), eV:	-9.21(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylsulfonylphenyl)-N-propan-2-yl-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)COC2=CC=CC=C2/C=C/C(=O)N(C3=CC=C(C=C3)S(=O)(=O)C)C(C)C

DOS

IR

Vibrations