Geometry & MOs

Info

ID:	229868
PubChem CID:	87569408
Reduced:	NO8C30H35 (1)
Stoich.:	AB8C30D35 (1)
Weight, g/mol:	431.133734
ΔH_f, kcal/mol:	-221.39
Dipole, Da:	6.84
IP(EA), eV:	-8.41(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methylpropyl)-1-[2-(4-methylsulfonylphenyl)ethyl]-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC(COC1=CC=C(C=C1)/C(=C/C2=C(C=C(C=C2)OC)OC)/C(=O)OC)O)OC3=CC=CC=C3OC

DOS

IR

Vibrations