Geometry & MOs

Info

ID:

181130

PubChem CID:

76715642

Reduced:

S2F3N4O7C49H57 (1)

Stoich.:

A2B3C4D7E49F57 (1)

Weight, g/mol:

687.297822

ΔHf, kcal/mol:

-349.3

Dipole, Da:

7.86

IP(EA), eV:

 -8.73(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(F)(F)F)CC2CCCCCC=CC3CC3(CC(=O)C4CC(CN4C2=O)OC5=CC(=NC6=C5C=CC(=C6C)OC)C7=NC(=CS7)C(C)C)C(=O)NS(=O)(=O)C8(CC8)C

DOS

IR

Vibrations