Geometry & MOs

Info

ID:

223222

PubChem CID:

85334706

Reduced:

O9N13C32H47 (1)

Stoich.:

A9B13C32D47 (1)

Weight, g/mol:

751.31502

ΔHf, kcal/mol:

-316.15

Dipole, Da:

8.73

IP(EA), eV:

 -9.01(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[11-[3-(diaminomethylideneamino)propyl]-8-[4-[(6-diazenylpyridine-3-carbonyl)amino]butyl]-10-methyl-3,6,9,12,15-pentaoxo-5-(6-oxopyridin-3-ylidene)-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid

Drug info:

PubChemData

Smile

CN1C(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C1=O)CCCCNC(=O)C2=CN=C(C=C2)N=N)C3CCC(=O)NC3)CC(=O)O)CCCN=C(N)N

DOS

IR

Vibrations