Geometry & MOs

Info

ID:

336849

PubChem CID:

127255856

Reduced:

BrS2C26H37 (1)

Stoich.:

AB2C26D37 (1)

Weight, g/mol:

1168.5414

ΔHf, kcal/mol:

-16.22

Dipole, Da:

1.29

IP(EA), eV:

 -8.19(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11,20-dibromo-10-[N'-(2-octyldodecyl)carbamimidoyl]-9-(2-octyldodecylcarbamoyl)-4,6-dioxo-5-azahexacyclo[10.9.1.113,17.03,7.08,22.021,23]tricosa-1,3(7),8,10,12(22),13,15,17(23),18,20-decaene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC(CC)CC1=C2C=CSC2=C(C3=C1SC(=C3)Br)CC(CC)CCCC

DOS

IR

Vibrations