Geometry & MOs

Info

ID:

415833

PubChem CID:

135088834

Reduced:

SN5O7C32H51 (1)

Stoich.:

AB5C7D32E51 (1)

Weight, g/mol:

673.315872

ΔHf, kcal/mol:

-336.0

Dipole, Da:

6.32

IP(EA), eV:

 -8.74(-0.12)

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-(1H-pyrrole-2-carbonyl)-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

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)S(=O)(=O)CC3CCCC3)C(C)C

DOS

IR

Vibrations