Geometry & MOs

Info

ID:

191761

PubChem CID:

78185476

Reduced:

O2N5C10H13 (1)

Stoich.:

A2B5C10D13 (1)

Weight, g/mol:

726.395227

ΔHf, kcal/mol:

-19.5

Dipole, Da:

2.7

IP(EA), eV:

 -8.85(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[[2-[[2-[[2-hydroxy-4-phenyl-3-[2-[2-(phenylmethoxycarbonylamino)propanoylamino]propanoylamino]butyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoate

Drug info:

PubChemData

Smile

C1CC(OC1CO)N2C=NC(=C3C2=NC=N3)N

DOS

IR

Vibrations