Geometry & MOs

Info

ID:	196982
PubChem CID:	78904870
Reduced:	Cl2O2N5C18H21 (1)
Stoich.:	A2B2C5D18E21 (1)
Weight, g/mol:	403.088515
ΔH_f, kcal/mol:	-39.74
Dipole, Da:	9.76
IP(EA), eV:	-8.95(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone

Drug info:

PubChemData

Smile

C1CCN(C(C1)C(=O)NC2=C(C=C(C=C2)Cl)Cl)C(=O)CCCN3C=NC=N3

DOS

IR

Vibrations