Geometry & MOs

Info

ID:

420337

PubChem CID:

135112586

Reduced:

SO2N4C25H28 (1)

Stoich.:

AB2C4D25E28 (1)

Weight, g/mol:

630.374098

ΔHf, kcal/mol:

4.33

Dipole, Da:

8.16

IP(EA), eV:

 -9.16(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6R,9S,12S,18S)-18-benzyl-16-(2-methoxyacetyl)-6,9,10-trimethyl-12-(2-methylpropyl)-3-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14-pentone

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(=O)N2[C@@H]3CC[C@H]2[C@@](C3)(CC4=CC=CC=C4)C(=O)NCC5=CN(N=C5)C

DOS

IR

Vibrations