Geometry & MOs

Info

ID:	361841
PubChem CID:	127304812
Reduced:	SO2N4C19H30 (1)
Stoich.:	AB2C4D19E30 (1)
Weight, g/mol:	389.224932
ΔH_f, kcal/mol:	-87.36
Dipole, Da:	3.28
IP(EA), eV:	-8.89(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-tert-butyl-5-propan-2-ylpyrazol-3-yl)-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC=C(S1)CN2CCN(CC2)C(=O)CCNC(=O)C3CCCCC3

DOS

IR

Vibrations