Geometry & MOs

Info

ID:

104500

PubChem CID:

50104423

Reduced:

ClO5N6C26H31 (1)

Stoich.:

AB5C6D26E31 (1)

Weight, g/mol:

632.368619

ΔHf, kcal/mol:

-190.91

Dipole, Da:

10.81

IP(EA), eV:

 -9.12(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)Cl)C(=O)NC

DOS

IR

Vibrations