Geometry & MOs

Info

ID:

225220

PubChem CID:

85747972

Reduced:

N7O12C27H49 (1)

Stoich.:

A7B12C27D49 (1)

Weight, g/mol:

655.257003

ΔHf, kcal/mol:

-588.33

Dipole, Da:

3.51

IP(EA), eV:

 -9.68(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2-carboxyoxyethoxy)ethyl [2-[2-[4-(4-methyl-N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]ethenyl]phenyl] carbonate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CO)C(=O)O)NC(=O)C(C(C)O)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C(C(C)O)NC(=O)CN

DOS

IR

Vibrations