Geometry & MOs

Info

ID:	234735
PubChem CID:	92303405
Reduced:	O2N5H21C22 (1)
Stoich.:	A2B5C21D22 (1)
Weight, g/mol:	385.163771
ΔH_f, kcal/mol:	73.18
Dipole, Da:	2.67
IP(EA), eV:	-9.06(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenyl)-5-oxo-2H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CCCN1CC=C2[C@@H](C1)[C@@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations