Geometry & MOs

Info

ID:

168278

PubChem CID:

74944479

Reduced:

F3O3N4H23C25 (1)

Stoich.:

A3B3C4D23E25 (1)

Weight, g/mol:

1044.456131

ΔHf, kcal/mol:

-206.92

Dipole, Da:

4.14

IP(EA), eV:

 -8.41(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[10-(4-aminobutyl)-19-(2-aminopropanoylamino)-16-benzyl-7-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-20,20-dimethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

C1CNC2C(C1OC3=CC=C(C4=CC=CC=C43)NC(=O)CC5=CC(=CC=C5)C(F)(F)F)NC(=O)N2

DOS

IR

Vibrations