Geometry & MOs

Info

ID:

426109

PubChem CID:

135138692

Reduced:

SF2O3N4H22C24 (1)

Stoich.:

AB2C3D4E22F24 (1)

Weight, g/mol:

613.375868

ΔHf, kcal/mol:

-105.31

Dipole, Da:

3.14

IP(EA), eV:

 -9.12(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl (Z)-6-amino-7-[amino(ethyl)amino]-3-[4-chloro-3-[[[3-(dimethylamino)-2,2-dimethylpropyl]-(2-oxoethyl)amino]methyl]phenyl]-2,2-dimethylhept-6-enoate

Drug info:

PubChemData

Smile

CO[C@H](CO)[C@@H](CC1=CSC=N1)NC(=O)C2=C(C(=CC=C2)F)C3=CC(=NN3)C4=CC=C(C=C4)F

DOS

IR

Vibrations