Geometry & MOs

Info

ID:

191211

PubChem CID:

78118102

Reduced:

N13O13C75H117 (1)

Stoich.:

A13B13C75D117 (1)

Weight, g/mol:

346.152872

ΔHf, kcal/mol:

-773.99

Dipole, Da:

16.85

IP(EA), eV:

 -9.44(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-oxo-1-(prop-2-enylcarbamoyl)azetidin-3-yl]ethyl 2-phenylmethoxyacetate

Drug info:

PubChemData

Smile

CC(C)CC(CC(=O)NC1CCCC1C(=O)NC2CCCC2C(=O)NC3CCCC3C(=O)NC4CCCC4C(=O)NC5CCCC5C(=O)NC6CCCC6C(=O)NC7CCCC7C(=O)NC8CCCC8C(=O)NC9CCCC9C(=O)N)NC(=O)C1CCCC1NC(=O)C1CCCC1NC(=O)C

DOS

IR

Vibrations