Geometry & MOs

Info

ID:	148381
PubChem CID:	53788043
Reduced:	O5C25H44 (1)
Stoich.:	A5B25C44 (1)
Weight, g/mol:	512.325023
ΔH_f, kcal/mol:	-276.14
Dipole, Da:	2.81
IP(EA), eV:	-10.23(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-3-(1-butyl-2,5-dihydroxypyrrol-3-yl)-4-(3,5-ditert-butyl-4-hydroxyphenyl)pyrrole-2,5-diol

Drug info:

PubChemData

Smile

CCCCC(CC)CC1(CC2C(O2)C(C1(CC(CC)CCCC)C(=O)O)C)C(=O)O

DOS

IR

Vibrations