Geometry & MOs

Info

ID:	55596
PubChem CID:	17395624
Reduced:	FOS2N4H7C11 (1)
Stoich.:	ABC2D4E7F11 (1)
Weight, g/mol:	350.141262
ΔH_f, kcal/mol:	53.52
Dipole, Da:	3.71
IP(EA), eV:	-9.5(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,4-dimethyl-5-[2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=NN=C(O2)CSC3=NN=CS3)F

DOS

IR

Vibrations