Geometry & MOs

Info

ID:	361830
PubChem CID:	127304801
Reduced:	SO2N4C18H28 (1)
Stoich.:	AB2C4D18E28 (1)
Weight, g/mol:	380.145302
ΔH_f, kcal/mol:	-83.05
Dipole, Da:	5.95
IP(EA), eV:	-9.12(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(S1)CN2CCN(CC2)C(=O)C3CC(=O)N(C3)C(C)(C)C

DOS

IR

Vibrations