Geometry & MOs

Info

ID:	172824
PubChem CID:	75557124
Reduced:	ClFSN2O2H12C16 (1)
Stoich.:	ABCD2E2F12G16 (1)
Weight, g/mol:	331.146681
ΔH_f, kcal/mol:	-73.7
Dipole, Da:	7.01
IP(EA), eV:	-8.7(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(1-propan-2-ylpyrrol-3-yl)methylideneamino]acetamide

Drug info:

PubChemData

Smile

CN1C=CC(=C1)C=C2C(=O)N(C(=O)S2)CC3=C(C=CC=C3Cl)F

DOS

IR

Vibrations