Geometry & MOs

Info

ID:

415172

PubChem CID:

135088163

Reduced:

ClN3O4C18H20 (1)

Stoich.:

AB3C4D18E20 (1)

Weight, g/mol:

692.335604

ΔHf, kcal/mol:

-112.19

Dipole, Da:

5.93

IP(EA), eV:

 -9.63(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,6S,9S,15S)-13-[3-(1,3-benzothiazol-2-yl)propanoyl]-6-[(4-methoxyphenyl)methyl]-3-methyl-9-(2-methylpropyl)-15-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CCC1(CCCN(C1)C2=NOC(=C2C(=O)O)C3=CC=C(C=C3)Cl)C(=O)N

DOS

IR

Vibrations