Geometry & MOs

Info

ID:

106053

PubChem CID:

50147885

Reduced:

ClO5N6C29H37 (1)

Stoich.:

AB5C6D29E37 (1)

Weight, g/mol:

658.327897

ΔHf, kcal/mol:

-212.46

Dipole, Da:

6.14

IP(EA), eV:

 -8.8(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[[2-(4-fluorophenyl)acetyl]amino]anilino]-3-oxopropyl]-1-[2-[2-methyl-4-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations