Geometry & MOs

Info

ID:	341299
PubChem CID:	127263992
Reduced:	ClN2O4C12H23 (1)
Stoich.:	AB2C4D12E23 (1)
Weight, g/mol:	538.210387
ΔH_f, kcal/mol:	-247.02
Dipole, Da:	2.79
IP(EA), eV:	-9.81(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-2-(9H-fluoren-9-ylmethoxycarbonyl)-9-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1C[C@H](CN1C(=O)OC(C)(C)C)N.Cl

DOS

IR

Vibrations