Geometry & MOs

Info

ID:

1404

PubChem CID:

4338

Reduced:

N6O10C29H36 (1)

Stoich.:

A6B10C29D36 (1)

Weight, g/mol:

628.249291

ΔHf, kcal/mol:

-347.7

Dipole, Da:

10.05

IP(EA), eV:

 -9.3(-1.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[[2-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]propanoylamino]-4-(4-nitroanilino)-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C

DOS

IR

Vibrations