Geometry & MOs

Info

ID:

418046

PubChem CID:

135103386

Reduced:

NSO4C18H21 (1)

Stoich.:

ABC4D18E21 (1)

Weight, g/mol:

713.347172

ΔHf, kcal/mol:

-150.63

Dipole, Da:

6.58

IP(EA), eV:

 -9.04(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,13S,19S)-4-benzyl-7-methyl-19-(2-methylpropyl)-13-propan-2-yl-15-(3-pyridin-3-ylpropanoyl)-21-thia-3,6,8,9,12,15,18,23-octazatricyclo[18.2.1.05,9]tricosa-1(22),5,7,20(23)-tetraene-2,11,17-trione

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@H]1O)C(=O)C2=CSC3=CC=CC=C32)C(=O)O

DOS

IR

Vibrations