Geometry & MOs

Info

ID:

115344

PubChem CID:

50519666

Reduced:

Cl2O5N6C30H38 (1)

Stoich.:

A2B5C6D30E38 (1)

Weight, g/mol:

676.277611

ΔHf, kcal/mol:

-213.82

Dipole, Da:

6.33

IP(EA), eV:

 -8.93(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[4-methoxy-3-[(3-methylbenzoyl)amino]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=C(C=C(C=C1)Cl)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N(C)C

DOS

IR

Vibrations