Geometry & MOs

Info

ID:

223001

PubChem CID:

85333797

Reduced:

S2N9O12C34H57 (1)

Stoich.:

A2B9C12D34E57 (1)

Weight, g/mol:

847.373027

ΔHf, kcal/mol:

-579.14

Dipole, Da:

11.71

IP(EA), eV:

 -8.62(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[(2-acetamido-4-carboxybutanoyl)amino]-3-[[1-[[1-[2-[[(1-chloro-2-methylpropoxy)carbonyl-propylamino]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]propanedioic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(C(C)O)C(=O)NCC(=O)NCC(=O)N1CCCC1C(=O)NC(C(C)O)C(=O)NC(CS)C(=O)O)NC(=O)C2CCCN2C(=O)C(CS)N

DOS

IR

Vibrations