Geometry & MOs

Info

ID:	221627
PubChem CID:	85285751
Reduced:	NSO9C28H37 (1)
Stoich.:	ABC9D28E37 (1)
Weight, g/mol:	565.294057
ΔH_f, kcal/mol:	-378.43
Dipole, Da:	6.62
IP(EA), eV:	-9.53(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-(2,5-dihydropyrrol-1-yl)-1,7-dioxo-7-(tritylamino)hept-2-en-4-yl]carbamate

Drug info:

PubChemData

Smile

CCCS(=O)(=O)OCC1(C(CCC2(C1CC(C3(C2C(C4=C(O3)C=C(OC4=O)C5=CN=CC=C5)O)C)O)C)O)C

DOS

IR

Vibrations