Geometry & MOs

Info

ID:	155295
PubChem CID:	56352881
Reduced:	SO2N3C25H35 (1)
Stoich.:	AB2C3D25E35 (1)
Weight, g/mol:	400.139154
ΔH_f, kcal/mol:	-69.44
Dipole, Da:	9.2
IP(EA), eV:	-8.27(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-2-(3-methylphenyl)propyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide

Drug info:

PubChemData

Smile

CCCCN(CC)C1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)NCCC3=CC=CS3

DOS

IR

Vibrations