Geometry & MOs

Info

ID:	227762
PubChem CID:	87562411
Reduced:	SO2N7C22H25 (1)
Stoich.:	AB2C7D22E25 (1)
Weight, g/mol:	631.088104
ΔH_f, kcal/mol:	39.51
Dipole, Da:	5.62
IP(EA), eV:	-8.63(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,2-dimethyl-N-(2-methyl-5-thiophen-2-ylphenyl)-5-(1,2-thiazol-4-yl)benzamide;2-(trifluoromethyl)pyridine-4-sulfonic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=NO1)CCNC(=O)NC2=NC3=C(S2)C=C(C=C3)C4=CC(=CN=C4)NC

DOS

IR

Vibrations