Geometry & MOs

Info

ID:

176077

PubChem CID:

75992112

Reduced:

Cl2F2S2O3N4C33H36 (1)

Stoich.:

A2B2C2D3E4F33G36 (1)

Weight, g/mol:

517.163771

ΔHf, kcal/mol:

-107.96

Dipole, Da:

12.66

IP(EA), eV:

 -8.14(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

19-ethyl-19-hydroxy-10-(naphthalen-1-yloxyiminomethyl)-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione

Drug info:

PubChemData

Smile

CC(C)(C1=CC(=C(C=C1)Cl)OC)C2=CN=C(N2C3=CC=C(C=C3)F)SCC4=C(C=C(C=C4Cl)S(=O)(=O)[N-]C5CCC[N+](C5)(C)C)F

DOS

IR

Vibrations