Geometry & MOs

Info

ID:

118519

PubChem CID:

50645203

Reduced:

Cl3O4N5C27H32 (1)

Stoich.:

A3B4C5D27E32 (1)

Weight, g/mol:

579.181538

ΔHf, kcal/mol:

-174.59

Dipole, Da:

8.93

IP(EA), eV:

 -9.16(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations