Geometry & MOs

Info

ID:	155269
PubChem CID:	56352851
Reduced:	SO2N3C23H31 (1)
Stoich.:	AB2C3D23E31 (1)
Weight, g/mol:	428.101054
ΔH_f, kcal/mol:	-56.29
Dipole, Da:	8.46
IP(EA), eV:	-8.84(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide

Drug info:

PubChemData

Smile

CCN(CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=C(S3)C)C(C)C

DOS

IR

Vibrations