Geometry & MOs

Info

ID:	120374
PubChem CID:	50724990
Reduced:	ClN5O5C27H34 (1)
Stoich.:	AB5C5D27E34 (1)
Weight, g/mol:	513.214282
ΔH_f, kcal/mol:	-193.15
Dipole, Da:	7.52
IP(EA), eV:	-8.34(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC)Cl)OC

DOS

IR

Vibrations