Geometry & MOs

Info

ID:

110404

PubChem CID:

50323466

Reduced:

ClO5N6C30H39 (1)

Stoich.:

AB5C6D30E39 (1)

Weight, g/mol:

620.332233

ΔHf, kcal/mol:

-205.59

Dipole, Da:

12.27

IP(EA), eV:

 -8.73(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(dimethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-[2-methyl-4-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=C(C=C1)Cl)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)N(C)C

DOS

IR

Vibrations