Geometry & MOs

Info

ID:

178728

PubChem CID:

76372955

Reduced:

SO3N4H16C17 (1)

Stoich.:

AB3C4D16E17 (1)

Weight, g/mol:

650.231139

ΔHf, kcal/mol:

-35.9

Dipole, Da:

1.16

IP(EA), eV:

 -9.56(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-oxo-1-[[1-oxo-1-[[1-oxo-1-[(2-oxothietan-3-yl)amino]-3-phenylpropan-2-yl]amino]-3-phenylpropan-2-yl]amino]-3-phenylpropan-2-yl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C1C(C(=O)S1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3=NC=CN=C3

DOS

IR

Vibrations