Geometry & MOs

Info

ID:

164129

PubChem CID:

74382068

Reduced:

ClN3O5C27H42 (1)

Stoich.:

AB3C5D27E42 (1)

Weight, g/mol:

1194.593427

ΔHf, kcal/mol:

-254.17

Dipole, Da:

7.47

IP(EA), eV:

 -8.84(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[1-[2-acetamido-3-(4-hydroxyphenyl)propanoyl]azetidine-2-carbonyl]amino]-N-[1-[[1-[2-[[1-[[1-[[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-[(N'-methylcarbamimidoyl)amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]butanediamide

Drug info:

PubChemData

Smile

C1CC(C2C(C1C(CNCC3(CCN(CC3)CCOCCC4=CC=CC=C4Cl)O)O)CCC(=O)N2)O

DOS

IR

Vibrations