Geometry & MOs

Info

ID:	131611
PubChem CID:	51234660
Reduced:	SO2N5C20H23 (1)
Stoich.:	AB2C5D20E23 (1)
Weight, g/mol:	325.103103
ΔH_f, kcal/mol:	24.44
Dipole, Da:	4.34
IP(EA), eV:	-9.0(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-tert-butylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C(=NN=N2)SC(C)C(=O)NCC3=CC=CC=C3OC)C

DOS

IR

Vibrations