Geometry & MOs

Info

ID:

169358

PubChem CID:

75092506

Reduced:

SO4N7C28H31 (1)

Stoich.:

AB4C7D28E31 (1)

Weight, g/mol:

633.323459

ΔHf, kcal/mol:

10.39

Dipole, Da:

3.32

IP(EA), eV:

 -9.27(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[8-(4-aminobutyl)-11-[3-(diaminomethylideneamino)propyl]-5-[(4-hydroxyphenyl)methyl]-14-methyl-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid

Drug info:

PubChemData

Smile

CC1CN(CCN1C(=O)C)CC2=CN=C(S2)NC(=O)C(=NOCC3=NC=CC=N3)C4=CC=C(C=C4)C(=O)C5CC5

DOS

IR

Vibrations