Geometry & MOs

Info

ID:

219130

PubChem CID:

85090725

Reduced:

SN2O2C31H35 (1)

Stoich.:

AB2C2D31E35 (1)

Weight, g/mol:

580.285677

ΔHf, kcal/mol:

-11.08

Dipole, Da:

4.08

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.993181

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-amino-2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoic acid

Drug info:

PubChemData

Smile

CCCCN(CCCC)C1=CC=C(C=C1)C=CC=CC2=[N+](C3=C(S2)C=CC4=CC=CC=C43)CC(=O)O

DOS

IR

Vibrations