Geometry & MOs

Info

ID:

422290

PubChem CID:

135117565

Reduced:

ClSO6N9C37H44 (1)

Stoich.:

ABC6D9E37F44 (1)

Weight, g/mol:

516.331171

ΔHf, kcal/mol:

-165.63

Dipole, Da:

10.03

IP(EA), eV:

 -8.43(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5S)-2-[(4-methoxyphenyl)methyl]-4,5-dimethyl-11-(5-methylhexanoyl)-1,4,7,11-tetrazacyclopentadecane-3,6,15-trione

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N[C@@H](C(=O)N(CC(=O)N1)C)CC3=CNC4=CC=CC=C43)CC(C)C)C(=O)C5=C(C=NC=C5)Cl)C

DOS

IR

Vibrations