Geometry & MOs

Info

ID:

119966

PubChem CID:

50708963

Reduced:

ClN5O5C28H36 (1)

Stoich.:

AB5C5D28E36 (1)

Weight, g/mol:

609.19096

ΔHf, kcal/mol:

-198.17

Dipole, Da:

0.69

IP(EA), eV:

 -8.93(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-[1-[2-chloro-5-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)OC)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC)Cl

DOS

IR

Vibrations