Geometry & MOs

Info

ID:

215686

PubChem CID:

85085084

Reduced:

SN13O14C55H85 (1)

Stoich.:

AB13C14D55E85 (1)

Weight, g/mol:

1183.679388

ΔHf, kcal/mol:

-672.0

Dipole, Da:

10.48

IP(EA), eV:

 -9.11(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-acetamido-3-(4-aminophenyl)propanoyl]-N-[1-[[1-[[5-[[1-[[1-[[1-amino-3-(4-aminophenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-cyclohexyl-3-hydroxy-5-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCC(C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCC)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CCCCNC(=O)C(CO)NC(=O)C(CS)NC(=O)CNC(=O)C(CC(=O)N)N)C(=O)N)NC=O

DOS

IR

Vibrations