Geometry & MOs

Info

ID:	390996
PubChem CID:	135002093
Reduced:	NO3H21C27 (1)
Stoich.:	AB3C21D27 (1)
Weight, g/mol:	429.097915
ΔH_f, kcal/mol:	13.96
Dipole, Da:	2.95
IP(EA), eV:	-8.46(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

trimethyl (2S,5R)-5-(4-chlorophenyl)-1-phenyl-2,5-dihydropyrrole-2,3,4-tricarboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N=C2C3=CC=CC=C3C(O2)(C4=CC=CC=C4)OC5=CC=CC=C5

DOS

IR

Vibrations