Geometry & MOs

Info

ID:

181103

PubChem CID:

76715615

Reduced:

SN6O6C28H38 (1)

Stoich.:

AB6C6D28E38 (1)

Weight, g/mol:

729.356006

ΔHf, kcal/mol:

-180.32

Dipole, Da:

6.51

IP(EA), eV:

 -9.19(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-anilino-N-(1-methylcyclopropyl)sulfonyl-18-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)oxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)NC(=O)C12CC1C=CCCCCCC(C(=O)N3CC(CC3C(=O)C2)OC4=NC5=CC=CC=C5N4)N

DOS

IR

Vibrations