Geometry & MOs

Info

ID:

214776

PubChem CID:

85083622

Reduced:

N4O9C30H46 (1)

Stoich.:

A4B9C30D46 (1)

Weight, g/mol:

606.316583

ΔHf, kcal/mol:

-442.33

Dipole, Da:

6.11

IP(EA), eV:

 -9.66(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-(cyclopentyloxycarbonylamino)-18-(5,6-dimethylbenzotriazol-2-yl)-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)CNC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)C(CC(=O)OC(C)(C)C)NC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations