Geometry & MOs

Info

ID:	133717
PubChem CID:	51579800
Reduced:	N3O4C19H19 (1)
Stoich.:	A3B4C19D19 (1)
Weight, g/mol:	384.090569
ΔH_f, kcal/mol:	-99.23
Dipole, Da:	8.72
IP(EA), eV:	-9.67(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(2S)-2-(4-hydroxyphenyl)-5-oxo-1-[[(2S)-oxolan-2-yl]methyl]-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate

Drug info:

PubChemData

Smile

CC1(CC2=C([C@H]([C@H]3C(=N2)NNC3=O)C4=CC=C(C=C4)C(=O)O)C(=O)C1)C

DOS

IR

Vibrations