Geometry & MOs

Info

ID:	344200
PubChem CID:	127267376
Reduced:	ClFNSO5C11H13 (1)
Stoich.:	ABCDE5F11G13 (1)
Weight, g/mol:	339.149538
ΔH_f, kcal/mol:	-240.33
Dipole, Da:	1.62
IP(EA), eV:	-9.91(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazol-4-yl]-(5-fluoro-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)methanone

Drug info:

PubChemData

Smile

CC(CO)N(C)S(=O)(=O)C1=CC(=C(C(=C1)Cl)F)C(=O)O

DOS

IR

Vibrations