Geometry & MOs

Info

ID:

221719

PubChem CID:

85286073

Reduced:

N5O5C35H41 (1)

Stoich.:

A5B5C35D41 (1)

Weight, g/mol:

611.354366

ΔHf, kcal/mol:

-124.48

Dipole, Da:

5.59

IP(EA), eV:

 -9.24(0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-amino-3-(4-hydroxy-3,5-dimethylphenyl)propanoyl]amino]-5-(diaminomethylideneamino)-N-[1-[(1,4-diamino-1-oxobutan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]pentanamide

Drug info:

PubChemData

Smile

CC1C(N(C(=O)N1C)C(=O)CCN(CCC(=O)N2C(C(N(C2=O)C)C)C3=CC=CC=C3)OCC4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations