Geometry & MOs

Info

ID:

310393

PubChem CID:

126579712

Reduced:

ClFSN3O3H11C12 (1)

Stoich.:

ABCD3E3F11G12 (1)

Weight, g/mol:

791.284314

ΔHf, kcal/mol:

-34.78

Dipole, Da:

4.95

IP(EA), eV:

 -9.4(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(10R,13S,19S)-4-carbamoyl-19-[4-(diaminomethylideneamino)butyl]-10-(1H-indol-3-ylmethyl)-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-13-yl]acetic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)SCF)COC2=NN(C=C2)O)C(=O)NCl

DOS

IR

Vibrations