Geometry & MOs

Info

ID:

105028

PubChem CID:

50106187

Reduced:

ClO4N5C29H38 (1)

Stoich.:

AB4C5D29E38 (1)

Weight, g/mol:

541.245582

ΔHf, kcal/mol:

-166.4

Dipole, Da:

7.25

IP(EA), eV:

 -8.91(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-1-[1-[4-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations