Geometry & MOs

Info

ID:	26384
PubChem CID:	645880
Reduced:	OSN4C16H20 (1)
Stoich.:	ABC4D16E20 (1)
Weight, g/mol:	401.061632
ΔH_f, kcal/mol:	27.73
Dipole, Da:	3.11
IP(EA), eV:	-8.2(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(furan-2-ylmethyl)-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

C1CN(CCN1CCC(=O)NC2=NC=CS2)C3=CC=CC=C3

DOS

IR

Vibrations