Geometry & MOs

Info

ID:	221835
PubChem CID:	85286192
Reduced:	SN3O14C24H43 (1)
Stoich.:	AB3C14D24E43 (1)
Weight, g/mol:	629.325357
ΔH_f, kcal/mol:	-658.33
Dipole, Da:	7.54
IP(EA), eV:	-8.8(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-(3,4-dihydro-2H-quinolin-1-yl)-1,7-dioxo-7-(tritylamino)hept-2-en-4-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCOC1C(C(C(C(O1)CN(CCC(=O)OC)C(=S)NC2C(C(C(C(O2)CO)O)O)O)O)O)O

DOS

IR

Vibrations