Geometry & MOs

Info

ID:

420146

PubChem CID:

135111392

Reduced:

SN2O3C14H22 (1)

Stoich.:

AB2C3D14E22 (1)

Weight, g/mol:

767.361108

ΔHf, kcal/mol:

-123.38

Dipole, Da:

4.5

IP(EA), eV:

-9.11(-0.54)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(4R,7S,10S,13S,19S)-13-benzyl-7-ethyl-15-[(1-ethylimidazol-2-yl)methyl]-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

CCC[C@@]1(CCN(C[C@@H]1O)CC2=C(N=CS2)C)C(=O)O

DOS

IR

Vibrations