Geometry & MOs

Info

ID:

49910

PubChem CID:

11534281

Reduced:

S3N4O8C22H26 (1)

Stoich.:

A3B4C8D22E26 (1)

Weight, g/mol:

571.21007

ΔHf, kcal/mol:

-159.0

Dipole, Da:

2.96

IP(EA), eV:

 -8.77(-1.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[[2-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]phenyl] acetate

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2C(=O)OCCSSCCO[N+](=O)[O-])C=C(C=C3)OC

DOS

IR

Vibrations