Geometry & MOs

Info

ID:

219429

PubChem CID:

85148653

Reduced:

BrN2F4O6H13C18 (1)

Stoich.:

AB2C4D6E13F18 (1)

Weight, g/mol:

507.164165

ΔHf, kcal/mol:

-377.09

Dipole, Da:

6.59

IP(EA), eV:

 -9.32(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-[(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),4,6,8,10,15(20)-hexaen-19-yl)oxy]-4-oxobutanoyl]amino]acetic acid

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(O1)COC2=C(C=C(C(=C2)N3C(=O)CC(NC3=O)C(F)(F)F)F)Br

DOS

IR

Vibrations