Geometry & MOs

Info

ID:

15789

PubChem CID:

450611

Reduced:

SN5O6C25H33 (1)

Stoich.:

AB5C6D25E33 (1)

Weight, g/mol:

530.21782

ΔHf, kcal/mol:

-214.22

Dipole, Da:

7.16

IP(EA), eV:

 -8.66(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[1-[(2-(13N)azanyl-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]-4-methylsulfinylbutanamide

Drug info:

PubChemData

Smile

CS(=O)CCC(C(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)[13NH2])NC(=O)C(CC2=CC=C(C=C2)O)N

DOS

IR

Vibrations