Geometry & MOs

Info

ID:

300559

PubChem CID:

121360523

Reduced:

SO5N7C42H63 (1)

Stoich.:

AB5C7D42E63 (1)

Weight, g/mol:

714.292266

ΔHf, kcal/mol:

-219.37

Dipole, Da:

13.56

IP(EA), eV:

 -8.66(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-methyl-5-[4-[4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]phenyl]phenyl]phenol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)SC[C@H]2[C@H](N3CCC[C@H]3C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N2)CCCCN)CC4=CC=CC=C4)CC(C)C)C(=O)NC(C)(C)C)C

DOS

IR

Vibrations