Geometry & MOs

Info

ID:

170432

PubChem CID:

75231939

Reduced:

NO7C16H23 (1)

Stoich.:

AB7C16D23 (1)

Weight, g/mol:

1065.587219

ΔHf, kcal/mol:

-303.13

Dipole, Da:

5.93

IP(EA), eV:

 -9.23(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-(2-acetamidohexanoylamino)-9-benzyl-6-[3-(diaminomethylideneamino)propyl]-12-(1H-imidazol-5-ylmethyl)-3-(1H-indol-3-ylmethyl)-1,10,13-trimethyl-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexazacyclotricosane-23-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NCCC1=CC=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O

DOS

IR

Vibrations