Geometry & MOs

Info

ID:	325376
PubChem CID:	126682978
Reduced:	N3O7C30H39 (1)
Stoich.:	A3B7C30D39 (1)
Weight, g/mol:	273.084852
ΔH_f, kcal/mol:	-312.69
Dipole, Da:	5.64
IP(EA), eV:	-9.01(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-dioxopyrrolidin-1-yl) 3-(3-hydroxypropanoyloxy)butanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1)CNC(=O)C2=C(C3=C(C(=C2)C=O)OC(O3)(C)C4CCC(CC4)NC(=O)OC(C)(C)C)C)C

DOS

IR

Vibrations