Geometry & MOs

Info

ID:	395015
PubChem CID:	135024440
Reduced:	S2N3O6C13H13 (2)
Stoich.:	A2B3C6D13E13 (2)
Weight, g/mol:	415.058943
ΔH_f, kcal/mol:	-430.57
Dipole, Da:	8.28
IP(EA), eV:	-9.57(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-(1-benzyl-3,4-dichloro-5-oxo-2H-pyrrol-2-yl)-2-hydroxypropanedioate

Drug info:

PubChemData

Smile

C1[C@H](NC(=O)C2=CC(=CN=C2)C(=O)N[C@@H](CSSC[C@H](NC(=O)C3=CN=CC(=C3)C(=O)N[C@@H](CSS1)C(=O)O)C(=O)O)C(=O)O)C(=O)O

DOS

IR

Vibrations