Geometry & MOs

Info

ID:	50105
PubChem CID:	12012608
Reduced:	NSO2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	275.152144
ΔH_f, kcal/mol:	-24.78
Dipole, Da:	3.66
IP(EA), eV:	-9.45(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-hydroxy-2,2,5,5-tetramethyl-4-phenylpyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC1(C(=C(C(N1O)(C)C)C2=CC=CS2)C=O)C

DOS

IR

Vibrations