Geometry & MOs

Info

ID:	156478
PubChem CID:	56370771
Reduced:	SO2N6C20H26 (1)
Stoich.:	AB2C6D20E26 (1)
Weight, g/mol:	430.15941
ΔH_f, kcal/mol:	1.21
Dipole, Da:	3.67
IP(EA), eV:	-8.44(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-(4-chlorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCSC3=NN=C(N3C)C(C)C

DOS

IR

Vibrations