Geometry & MOs

Info

ID:

382154

PubChem CID:

134973118

Reduced:

SO3C20H22 (1)

Stoich.:

AB3C20D22 (1)

Weight, g/mol:

676.307676

ΔHf, kcal/mol:

-36.51

Dipole, Da:

6.18

IP(EA), eV:

 -10.06(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[1-[3-(dimethylamino)propylamino]-3-[[3-[3-(dimethylamino)propylamino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]disulfanyl]-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

C=CCC(C(=O)C12CCC1C3CC2C=C3)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations