Geometry & MOs

Info

ID:

420925

PubChem CID:

135115048

Reduced:

SO3N4C14H22 (1)

Stoich.:

AB3C4D14E22 (1)

Weight, g/mol:

678.319954

ΔHf, kcal/mol:

-72.04

Dipole, Da:

5.56

IP(EA), eV:

 -9.17(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S)-5-[3-(1H-benzimidazol-2-yl)propanoyl]-23-methoxy-13-(2-methylsulfanylacetyl)-2-oxa-5,8,13,17-tetrazatricyclo[19.2.2.13,6]hexacosa-1(23),21,24-triene-7,18-dione

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC2=NC=NC(=C2)C3CC3

DOS

IR

Vibrations