Geometry & MOs

Info

ID:	307262
PubChem CID:	125299300
Reduced:	N3O6H23C28 (1)
Stoich.:	A3B6C23D28 (1)
Weight, g/mol:	413.97127
ΔH_f, kcal/mol:	-103.85
Dipole, Da:	7.38
IP(EA), eV:	-9.19(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[(4-iodobenzoyl)oxymethyl]-2-oxoimidazole-4-carboxylate

Drug info:

PubChemData

Smile

C1[C@H](CC(=O)C2=C1N=C3[C@H]([C@@H]2C4=CC=C(C=C4)OCC(=O)O)C(=O)N(N3)C5=CC=CC=C5)C6=CC=CO6

DOS

IR

Vibrations