Geometry & MOs

Info

ID:	155378
PubChem CID:	56353000
Reduced:	OS2N6H22C24 (1)
Stoich.:	AB2C6D22E24 (1)
Weight, g/mol:	415.150053
ΔH_f, kcal/mol:	106.65
Dipole, Da:	5.44
IP(EA), eV:	-8.54(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC(C1=CC=CC=C1)C2=NC3=CC=CC=C3N2C)N4C(=NNC4=S)C5=CC=CS5

DOS

IR

Vibrations