Geometry & MOs

Info

ID:	273028
PubChem CID:	103770350
Reduced:	FNOSC6H6 (2)
Stoich.:	ABCDE6F6 (2)
Weight, g/mol:	281.98155
ΔH_f, kcal/mol:	-137.9
Dipole, Da:	6.01
IP(EA), eV:	-9.3(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(3,3-difluoro-2-hydroxypropyl)-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CSC=C2)C(=O)NCC(C(F)F)O

DOS

IR

Vibrations