Geometry & MOs

Info

ID:	401357
PubChem CID:	135051043
Reduced:	NSO4C21H21 (1)
Stoich.:	ABC4D21E21 (1)
Weight, g/mol:	221.105193
ΔH_f, kcal/mol:	-86.39
Dipole, Da:	4.32
IP(EA), eV:	-8.83(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(Z)-6-oxohex-4-en-3-yl]pyrrole-1-carboxylate

Drug info:

PubChemData

Smile

COC(CC1=CC=CN1S(=O)(=O)C2=CC=CC=C2)CC(=O)C3=CC=CC=C3

DOS

IR

Vibrations