Geometry & MOs

Info

ID:	361838
PubChem CID:	127304809
Reduced:	OSN6C20H24 (1)
Stoich.:	ABC6D20E24 (1)
Weight, g/mol:	367.124901
ΔH_f, kcal/mol:	57.75
Dipole, Da:	6.84
IP(EA), eV:	-8.73(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methyltetrazol-5-yl)sulfanyl-1-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=C(N=N2)C(=O)N3CCN(CC3)CC4=CN=C(S4)C)C

DOS

IR

Vibrations