Geometry & MOs

Info

ID:

191687

PubChem CID:

78178095

Reduced:

N4O10C21H28 (1)

Stoich.:

A4B10C21D28 (1)

Weight, g/mol:

1031.518865

ΔHf, kcal/mol:

-421.69

Dipole, Da:

1.18

IP(EA), eV:

 -9.15(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-4-[[1-[[1-[[1-[[1-[[1-[2-[(1-carboxy-2-phenylethyl)carbamoyl]pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(C(C1=CC=C(C=C1)O)O)C(C(=O)NC(C2C(C(C(O2)N3CCC(=O)NC3=O)O)O)C(=O)O)N

DOS

IR

Vibrations