Geometry & MOs

Info

ID:	222714
PubChem CID:	85332065
Reduced:	N3O6H25C27 (1)
Stoich.:	A3B6C25D27 (1)
Weight, g/mol:	483.262957
ΔH_f, kcal/mol:	-150.89
Dipole, Da:	19.92
IP(EA), eV:	-7.6(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-methoxy-5-thiophen-2-ylthiophen-2-yl)methylidene]-5-pentadecylpyrrole

Drug info:

PubChemData

Smile

CC1CC(NC(=C2C=CC3=CC(=O)C=CC3=C2)N1)OCC(=O)OCCN4C(=O)C5=CC=CC=C5C4=O

DOS

IR

Vibrations