Geometry & MOs

Info

ID:

164626

PubChem CID:

74427491

Reduced:

FSO3N6C38H41 (1)

Stoich.:

ABC3D6E38F41 (1)

Weight, g/mol:

1031.534121

ΔHf, kcal/mol:

-56.3

Dipole, Da:

5.24

IP(EA), eV:

 -8.44(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

37-[2-(carbamoylamino)hexanoylamino]-15-[3-(diaminomethylideneamino)propyl]-2,13,16,27,35,38-hexaoxo-3,14,17,28,34,39-hexazaheptacyclo[37.8.0.03,12.05,10.017,26.019,24.041,46]heptatetraconta-5,7,9,19,21,23,41,43,45-nonaene-29-carboxamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)CN(C)C(=O)C2=CC(=CC(=C2)C(=O)NC(CC3=CC=CC=C3)C(CN(C)C4=CN=CC(=C4)C(C)C)O)C5=CN=C(C=C5)F

DOS

IR

Vibrations