Geometry & MOs

Info

ID:	65461
PubChem CID:	38671703
Reduced:	N3O4H21C22 (1)
Stoich.:	A3B4C21D22 (1)
Weight, g/mol:	372.125612
ΔH_f, kcal/mol:	-99.28
Dipole, Da:	6.27
IP(EA), eV:	-8.86(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide

Drug info:

PubChemData

Smile

C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)CC(=O)NC3=CC(=CC=C3)OCC4=CC=CC=N4

DOS

IR

Vibrations