Geometry & MOs

Info

ID:	86386
PubChem CID:	49884786
Reduced:	SO3N4C18H24 (1)
Stoich.:	AB3C4D18E24 (1)
Weight, g/mol:	459.139882
ΔH_f, kcal/mol:	-61.15
Dipole, Da:	3.41
IP(EA), eV:	-8.8(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[4-methyl-5-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]butanamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CSC1=NN=C(N1C)C2C(OC3=CC=CC=C3O2)C

DOS

IR

Vibrations