Geometry & MOs

Info

ID:	188463
PubChem CID:	77721338
Reduced:	NO3C9H10 (2)
Stoich.:	AB3C9D10 (2)
Weight, g/mol:	605.204111
ΔH_f, kcal/mol:	-230.78
Dipole, Da:	5.81
IP(EA), eV:	-8.6(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 5-chloro-1-[5-methyl-7-(4-nitrobenzoyl)oxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]spiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1CCC2C(C1)C(=O)N(C(=O)N2)CC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations