Geometry & MOs

Info

ID:

116842

PubChem CID:

50577793

Reduced:

ClN6O6C33H45 (1)

Stoich.:

AB6C6D33E45 (1)

Weight, g/mol:

626.298346

ΔHf, kcal/mol:

-261.19

Dipole, Da:

6.12

IP(EA), eV:

 -8.65(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(butan-2-ylcarbamoyl)-4-chloroanilino]-2-oxoethyl]-N-[3-[3-(dimethylcarbamoyl)-2-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)OC)NC(=O)C(C)C)Cl

DOS

IR

Vibrations