Geometry & MOs

Info

ID:

104548

PubChem CID:

50104550

Reduced:

O5N6C27H34 (1)

Stoich.:

A5B6C27D34 (1)

Weight, g/mol:

626.321668

ΔHf, kcal/mol:

-186.89

Dipole, Da:

9.43

IP(EA), eV:

 -8.86(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)N)C

DOS

IR

Vibrations