Geometry & MOs

Info

ID:	177310
PubChem CID:	76165345
Reduced:	SN3O4C27H29 (1)
Stoich.:	AB3C4D27E29 (1)
Weight, g/mol:	468.151907
ΔH_f, kcal/mol:	-31.23
Dipole, Da:	9.57
IP(EA), eV:	-7.93(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-fluorophenyl)sulfonyl-8-(2-methoxyphenyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC=CC(=C1)C2=CC3=C(C=C2)NC(C4C3N(CC4)S(=O)(=O)C5=CC=CC=C5)CO

DOS

IR

Vibrations