Geometry & MOs

Info

ID:	86099
PubChem CID:	49881835
Reduced:	OSN2C11H12 (2)
Stoich.:	ABC2D11E12 (2)
Weight, g/mol:	450.118418
ΔH_f, kcal/mol:	27.33
Dipole, Da:	5.12
IP(EA), eV:	-8.66(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-2-[[4-phenyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1OC)SC2=NN=C(N2CC=C)CSC3=CC=CC=C3

DOS

IR

Vibrations