Geometry & MOs

Info

ID:	407333
PubChem CID:	135079863
Reduced:	SN3O4H9C18 (1)
Stoich.:	AB3C4D9E18 (1)
Weight, g/mol:	453.09733
ΔH_f, kcal/mol:	16.28
Dipole, Da:	5.92
IP(EA), eV:	-9.16(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzenesulfonyl)-4-(10-bromodecyl)pyrrole-3-carbaldehyde

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=C(N4C(=N3)SC(=N4)C5=CC=CO5)C=O

DOS

IR

Vibrations