Geometry & MOs

Info

ID:	157568
PubChem CID:	56435748
Reduced:	ClO3N4C25H31 (1)
Stoich.:	AB3C4D25E31 (1)
Weight, g/mol:	427.138819
ΔH_f, kcal/mol:	-115.76
Dipole, Da:	5.79
IP(EA), eV:	-9.05(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(dimethylamino)phenyl]methyl]-N-(oxolan-2-ylmethyl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)NC(C1=CC=CC=C1)C(=O)N2CCCN(CC2)C(=O)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations