Geometry & MOs

Info

ID:	26338
PubChem CID:	645034
Reduced:	O2N3C17H17 (1)
Stoich.:	A2B3C17D17 (1)
Weight, g/mol:	424.102768
ΔH_f, kcal/mol:	-0.33
Dipole, Da:	4.92
IP(EA), eV:	-8.56(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C(C=C3C=C4C(=CC3=N2)OCCO4)C#N

DOS

IR

Vibrations