Geometry & MOs

Info

ID:

191286

PubChem CID:

78125725

Reduced:

ClOS2N5H20C28 (1)

Stoich.:

ABC2D5E20F28 (1)

Weight, g/mol:

622.332627

ΔHf, kcal/mol:

149.0

Dipole, Da:

7.97

IP(EA), eV:

 -8.65(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[(2-amino-3-methoxypropanoyl)amino]-3-methoxybutanoyl]amino]-4-methylpentanoyl]amino]-4-(methylamino)-4-oxobutanoyl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C=NC2=C(SC(=S)N2C3=CC=CC=C3)C(=O)NN=CC4=CC5=CC=CC=C5N=C4Cl

DOS

IR

Vibrations