Geometry & MOs

Info

ID:	65459
PubChem CID:	38671698
Reduced:	N4O5H18C19 (1)
Stoich.:	A4B5C18D19 (1)
Weight, g/mol:	362.087118
ΔH_f, kcal/mol:	-109.16
Dipole, Da:	8.32
IP(EA), eV:	-8.46(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-(furan-2-ylmethyl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide

Drug info:

PubChemData

Smile

C1COC2=C(C=C(C=C2)NC(=O)CN3C(=O)C(=CN(C3=O)C4CC4)C#N)OC1

DOS

IR

Vibrations