Geometry & MOs

Info

ID:	155271
PubChem CID:	56352854
Reduced:	ClO2S2N5H16C17 (1)
Stoich.:	AB2C2D5E16F17 (1)
Weight, g/mol:	454.124566
ΔH_f, kcal/mol:	-3.79
Dipole, Da:	6.91
IP(EA), eV:	-8.82(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)NC(=O)C)Cl)N2C(=NNC2=S)C3=CC=CS3

DOS

IR

Vibrations