Geometry & MOs

Info

ID:	218643
PubChem CID:	85089743
Reduced:	N5O6H23C25 (1)
Stoich.:	A5B6C23D25 (1)
Weight, g/mol:	489.145738
ΔH_f, kcal/mol:	-156.31
Dipole, Da:	11.48
IP(EA), eV:	-8.73(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-O-benzyl 1-O-methyl 2-[1-(benzenesulfonyl)pyrrolidine-2-carbonyl]oxypentanedioate

Drug info:

PubChemData

Smile

C1=CC(=CC2=C1C=CC3=NC(=NC(=O)C32)N)CNC4=CC=C(C=C4)C(=O)NC(CCC(=O)O)C(=O)O

DOS

IR

Vibrations