Geometry & MOs

Info

ID:	69168
PubChem CID:	46525731
Reduced:	O3N5C24H25 (1)
Stoich.:	A3B5C24D25 (1)
Weight, g/mol:	462.14741
ΔH_f, kcal/mol:	-43.88
Dipole, Da:	3.06
IP(EA), eV:	-9.34(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(phenylcarbamoylamino)phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)NCC3=CC=CC=C3CN4C=CC=N4)C

DOS

IR

Vibrations