Geometry & MOs

Info

ID:	177291
PubChem CID:	76161434
Reduced:	SN3O4C19H31 (1)
Stoich.:	AB3C4D19E31 (1)
Weight, g/mol:	416.120607
ΔH_f, kcal/mol:	-152.98
Dipole, Da:	5.22
IP(EA), eV:	-9.14(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopropyl-[4-(4-fluorophenyl)sulfonyl-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]methanone

Drug info:

PubChemData

Smile

CC(C)N(CC1C(C(N1S(=O)(=O)C)CO)C2=CC=CC=C2)C(=O)CN(C)C

DOS

IR

Vibrations