Geometry & MOs

Info

ID:	164086
PubChem CID:	74381837
Reduced:	O2N4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	604.069103
ΔH_f, kcal/mol:	0.68
Dipole, Da:	5.79
IP(EA), eV:	-8.72(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[5-(4-benzoyl-2-methylpiperazin-1-yl)sulfonylthiophen-2-yl]triazol-1-yl]-2-methylsulfanyl-1,3-thiazole-5-carboxylate

Drug info:

PubChemData

Smile

CC(C)N1CCC(CC1)OC2=NC=C(C=C2)C3C=CC(=O)N=N3

DOS

IR

Vibrations