Geometry & MOs

Info

ID:

310447

PubChem CID:

126580466

Reduced:

S2N19O26C74H105 (1)

Stoich.:

A2B19C26D74E105 (1)

Weight, g/mol:

661.251798

ΔHf, kcal/mol:

-1120.93

Dipole, Da:

7.16

IP(EA), eV:

 -8.96(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(7-phenyl-7H-benzo[c]fluoren-10-yl)-9-(3-phenylquinoxalin-2-yl)carbazole

Drug info:

PubChemData

Smile

CC([C@@H](C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCCNC(=O)CON)C(=O)N)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C(C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=C)C2=CC=CC=C2N)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC3=CC=CC=C3)N)O

DOS

IR

Vibrations