Geometry & MOs

Info

ID:

310391

PubChem CID:

126579674

Reduced:

FO3N5H10C12 (1)

Stoich.:

AB3C5D10E12 (1)

Weight, g/mol:

833.356417

ΔHf, kcal/mol:

16.26

Dipole, Da:

1.75

IP(EA), eV:

 -9.38(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(7S,10S,13S,19S)-4-carbamoyl-19-[4-[ethyl(methyl)amino]butyl]-8-[2-(1H-indol-3-yl)ethyl]-7,10-dimethyl-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)C(=O)N=[N+]=[N-])COC2=NN(C=C2)O)CF

DOS

IR

Vibrations