Geometry & MOs

Info

ID:

84025

PubChem CID:

49863415

Reduced:

S3O32N44C130H214 (1)

Stoich.:

A3B32C44D130E214 (1)

Weight, g/mol:

532.258674

ΔHf, kcal/mol:

-1460.23

Dipole, Da:

25.41

IP(EA), eV:

 -8.28(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-N-[4-[(9-amino-7-methoxyacridin-2-yl)amino]butyl]-7-methoxyacridine-2,9-diamine

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)NC(=O)[C@@H]1CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CO)C(C)C)CCCNC(=N)N)C(C)C)CCCCN)CCCNC(=N)N)CCSC)CC(=O)N)CCCNC(=N)N)CCC(=O)N)CC4=CNC5=CC=CC=C54)C)CC6=CC=CC=C6)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)C

DOS

IR

Vibrations