Geometry & MOs

Info

ID:

423187

PubChem CID:

135119064

Reduced:

SO6N7C37H45 (1)

Stoich.:

AB6C7D37E45 (1)

Weight, g/mol:

615.363199

ΔHf, kcal/mol:

-170.5

Dipole, Da:

4.21

IP(EA), eV:

 -9.09(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,5S,8S)-5-[(4-methoxyphenyl)methyl]-7,8-dimethyl-2-(2-methylpropyl)-14-[(2S)-oxolane-2-carbonyl]-1,4,7,10,14-pentazacyclooctadecane-3,6,9,18-tetrone

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N1)CC3=CC=CC=C3)CC4=CC5=CC=CC=C5O4)C)C)C(C)C

DOS

IR

Vibrations