Geometry & MOs

Info

ID:	172101
PubChem CID:	75466902
Reduced:	ClNO2C14H20 (1)
Stoich.:	ABC2D14E20 (1)
Weight, g/mol:	399.028224
ΔH_f, kcal/mol:	-111.78
Dipole, Da:	5.03
IP(EA), eV:	-9.09(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1(CCN(CC1)CC2=CC=CC=C2)C(=O)O.Cl

DOS

IR

Vibrations