Geometry & MOs

Info

ID:	155272
PubChem CID:	56352855
Reduced:	O2S2N6C21H22 (1)
Stoich.:	A2B2C6D21E22 (1)
Weight, g/mol:	415.113667
ΔH_f, kcal/mol:	65.01
Dipole, Da:	7.09
IP(EA), eV:	-8.61(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-[2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanoylamino]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)C2=NOC(=N2)C(C)(C)C)N3C(=NNC3=S)C4=CC=CS4

DOS

IR

Vibrations