Geometry & MOs

Info

ID:	356205
PubChem CID:	127291241
Reduced:	SO2N3C20H29 (1)
Stoich.:	AB2C3D20E29 (1)
Weight, g/mol:	387.141676
ΔH_f, kcal/mol:	-79.58
Dipole, Da:	0.74
IP(EA), eV:	-8.9(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclobutyl-[4-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-1,3-thiazolidin-3-yl]methanone

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)N1CSCC1C(=O)NCCN2CCC3=CC=CC=C3C2

DOS

IR

Vibrations