Geometry & MOs

Info

ID:	398574
PubChem CID:	135033981
Reduced:	SN2O5C22H22 (1)
Stoich.:	AB2C5D22E22 (1)
Weight, g/mol:	301.131408
ΔH_f, kcal/mol:	-125.45
Dipole, Da:	10.46
IP(EA), eV:	-9.39(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(4-methoxycarbonylphenyl)pyrrole-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C[C@H]3CC3(C(=O)C2)N4[C@@H](COC4=O)C5=CC=CC=C5

DOS

IR

Vibrations