Geometry & MOs

Info

ID:

214955

PubChem CID:

85083918

Reduced:

N8O9C29H48 (1)

Stoich.:

A8B9C29D48 (1)

Weight, g/mol:

652.347215

ΔHf, kcal/mol:

-379.54

Dipole, Da:

8.6

IP(EA), eV:

 -9.56(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 3-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoyl]piperidine-3-carbonyl]amino]propanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(=O)NC(C(=O)NC1C(C(C(OC1C(CO)O)NC2=NC=NC3=C2NC=N3)O)O)NCCC(=O)O

DOS

IR

Vibrations