Geometry & MOs

Info

ID:

223866

PubChem CID:

85335677

Reduced:

Cl2F3O4N5C27H32 (1)

Stoich.:

A2B3C4D5E27F32 (1)

Weight, g/mol:

617.169556

ΔHf, kcal/mol:

-308.45

Dipole, Da:

3.11

IP(EA), eV:

 -9.52(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-cyclohexyloxycarbonyloxyethyl 2-[(2,6-dichlorobenzoyl)amino]-3-[4-(1-methyl-2-oxo-4H-pyrimidin-3-yl)phenyl]propanoate

Drug info:

PubChemData

Smile

CC1=NN(C=C1C(=O)NC(C(C)C)C(=O)N2CCCC2C(=O)NC(C(C)C)C(=O)C(F)(F)F)C3=C(C=CC=C3Cl)Cl

DOS

IR

Vibrations