Geometry & MOs

Info

ID:

398427

PubChem CID:

135033227

Reduced:

NO4C18H27 (1)

Stoich.:

AB4C18D27 (1)

Weight, g/mol:

1059.58655

ΔHf, kcal/mol:

-180.45

Dipole, Da:

4.49

IP(EA), eV:

 -8.84(0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[(2R,3R)-2-[[(2R)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-N-[(5R)-5-[[(2R)-2-[[(2R,3R)-2-[[(2R)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-6-aminohexanoyl]amino]-6-amino-6-oxohexyl]-6-aminohexanamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)C2=CC=C(C=C2)OCOC

DOS

IR

Vibrations