Geometry & MOs

Info

ID:	195982
PubChem CID:	78759387
Reduced:	N2O2C15H18 (1)
Stoich.:	A2B2C15D18 (1)
Weight, g/mol:	431.144967
ΔH_f, kcal/mol:	-23.2
Dipole, Da:	4.96
IP(EA), eV:	-9.55(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dimethylphenyl)-N-[4-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

CCN(CC(=C)C)C(=O)COC1=CC=CC(=C1)C#N

DOS

IR

Vibrations