Geometry & MOs

Info

ID:

110069

PubChem CID:

50308219

Reduced:

ClO5N6C37H45 (1)

Stoich.:

AB5C6D37E45 (1)

Weight, g/mol:

678.273274

ΔHf, kcal/mol:

-184.74

Dipole, Da:

3.49

IP(EA), eV:

 -8.78(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-chloro-4-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[2-[4-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)NC(=O)C4=CC=CC=C4)Cl)C(=O)N(C)C

DOS

IR

Vibrations