Geometry & MOs

Info

ID:	219420
PubChem CID:	85148637
Reduced:	NSO4C30H35 (1)
Stoich.:	ABC4D30E35 (1)
Weight, g/mol:	506.198857
ΔH_f, kcal/mol:	-138.62
Dipole, Da:	5.08
IP(EA), eV:	-8.53(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[[1-difluoroboranyl-5-(4-fluorophenyl)pyrrol-2-yl]-(3,5-dimethylpyrrol-2-ylidene)methyl]phenyl]-2-(hydroxymethyl)oxolan-3-ol

Drug info:

PubChemData

Smile

CCCC1=C(C=CC(=C1)C2=NC3=C(S2)CCCC3)OCCCOC4=CC5=C(C=C4)C(CC5)CC(=O)O

DOS

IR

Vibrations