Geometry & MOs

Info

ID:	49780
PubChem CID:	11533818
Reduced:	SO3N4F6H14C22 (1)
Stoich.:	AB3C4D6E14F22 (1)
Weight, g/mol:	527.13074
ΔH_f, kcal/mol:	-310.88
Dipole, Da:	5.08
IP(EA), eV:	-9.24(-2.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-bromo-9-methoxy-8-propan-2-yloxy-1-(3-propan-2-yloxyphenyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations