Geometry & MOs

Info

ID:	52659
PubChem CID:	12015641
Reduced:	INO2C11H15 (2)
Stoich.:	ABC2D11E15 (2)
Weight, g/mol:	476.215866
ΔH_f, kcal/mol:	-148.53
Dipole, Da:	1.26
IP(EA), eV:	-9.11(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2-carboxy-5-ethoxycarbonyl-4-ethyl-1H-pyrrol-3-yl)butyl]-5-ethoxycarbonyl-4-ethyl-1H-pyrrole-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=C(NC(=C1CCCCC2=C(NC(=C2CC)C(=O)OCC)I)I)C(=O)OCC

DOS

IR

Vibrations