Geometry & MOs

Info

ID:	328587
PubChem CID:	126725787
Reduced:	SN2O5H26C27 (1)
Stoich.:	AB2C5D26E27 (1)
Weight, g/mol:	650.256943
ΔH_f, kcal/mol:	-137.23
Dipole, Da:	11.27
IP(EA), eV:	-8.39(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]-5-[4-(3,6-dimethylcarbazol-9-yl)phenyl]penta-1,4-diyn-3-ol

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1[C@@H](C(=O)C)OC(C)(C)C)C3=C4C5=C(COCC5=CC=N4)C=C3)SC(=N2)C(=O)O

DOS

IR

Vibrations