Geometry & MOs

Info

ID:

414809

PubChem CID:

135087772

Reduced:

ClN3O3C17H22 (1)

Stoich.:

AB3C3D17E22 (1)

Weight, g/mol:

745.329139

ΔHf, kcal/mol:

-108.68

Dipole, Da:

1.28

IP(EA), eV:

 -9.0(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,7S,10S,13S,19S)-13-benzyl-7-ethyl-15-(3-methoxypropanoyl)-4-methyl-10-(2-methylsulfanylethyl)-19-propan-2-yl-21-thia-3,6,9,12,15,18,23-heptazabicyclo[18.2.1]tricosa-1(22),20(23)-diene-2,5,8,11,17-pentone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)OC(C)C(=O)N(CCO)CC2=C(NC=N2)C

DOS

IR

Vibrations