Geometry & MOs

Info

ID:

309654

PubChem CID:

126552139

Reduced:

SN4O11C34H42 (1)

Stoich.:

AB4C11D34E42 (1)

Weight, g/mol:

751.298748

ΔHf, kcal/mol:

-442.42

Dipole, Da:

17.95

IP(EA), eV:

 -9.8(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(4a,10a-dihydrophenanthren-9-yl)-4-(9,9-diphenylfluoren-2-yl)-6-phenanthren-9-yl-1,3,5-triazine

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)/C=C/S(=O)(=O)C)NC(=O)C(C1CC2=CC=CC=C2C1)NC(=O)[C@H](CC(=O)O)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations