Geometry & MOs

Info

ID:

447724

PubChem CID:

135285124

Reduced:

BrF2N2O2H13C16 (1)

Stoich.:

AB2C2D2E13F16 (1)

Weight, g/mol:

1094.709016

ΔHf, kcal/mol:

-105.55

Dipole, Da:

4.12

IP(EA), eV:

 -8.91(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 15-[[5-[3-[4-[3-[[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutanoyl]amino]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propylamino]-1-[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-15-oxopentadecanoate

Drug info:

PubChemData

Smile

CN1C(=C2C=C(C=CC2=N1)Br)C(C3=CC=CC=C3OC(F)F)O

DOS

IR

Vibrations