Geometry & MOs

Info

ID:

181118

PubChem CID:

76715630

Reduced:

S2N5O6C31H39 (1)

Stoich.:

A2B5C6D31E39 (1)

Weight, g/mol:

631.211899

ΔHf, kcal/mol:

-146.25

Dipole, Da:

8.37

IP(EA), eV:

 -8.68(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-[(5-chloro-1,3-benzoxazol-2-yl)oxy]-14-methyl-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1N=C(C=C2OC3CC(NC3)C(=O)CC4(CC4C=C)C(=O)NS(=O)(=O)N(C)C)C5=NC(=CS5)C(C)C)OC

DOS

IR

Vibrations