Geometry & MOs

Info

ID:

14892

PubChem CID:

423575

Reduced:

SN2O5C15H19 (2)

Stoich.:

AB2C5D15E19 (2)

Weight, g/mol:

678.202936

ΔHf, kcal/mol:

-401.25

Dipole, Da:

1.79

IP(EA), eV:

 -9.04(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[[3-[[3-[(2-ethoxy-2-oxoethyl)amino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]disulfanyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate

Drug info:

PubChemData

Smile

CCOC(=O)CNC(=O)C(CSSCC(C(=O)NCC(=O)OCC)NC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations