Geometry & MOs

Info

ID:

120101

PubChem CID:

50713850

Reduced:

ClFO5N6C34H38 (1)

Stoich.:

ABC5D6E34F38 (1)

Weight, g/mol:

646.267046

ΔHf, kcal/mol:

-224.48

Dipole, Da:

9.45

IP(EA), eV:

 -8.71(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(methylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[2-methyl-5-[(2-methylphenyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC)Cl)F

DOS

IR

Vibrations