Geometry & MOs

Info

ID:	353543
PubChem CID:	127285120
Reduced:	SO4N5C15H27 (1)
Stoich.:	AB4C5D15E27 (1)
Weight, g/mol:	336.136845
ΔH_f, kcal/mol:	-149.31
Dipole, Da:	10.44
IP(EA), eV:	-8.44(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-morpholin-4-ylbutan-2-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CN1C)S(=O)(=O)NCC(=O)NC(C)C(C)N2CCOCC2

DOS

IR

Vibrations