Geometry & MOs

Info

ID:

95678

PubChem CID:

50011974

Reduced:

ClO5N6C32H41 (1)

Stoich.:

AB5C6D32E41 (1)

Weight, g/mol:

626.321668

ΔHf, kcal/mol:

-205.08

Dipole, Da:

5.78

IP(EA), eV:

 -9.0(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-[2-methyl-4-(phenylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCCC4

DOS

IR

Vibrations