Geometry & MOs

Info

ID:	120632
PubChem CID:	50737920
Reduced:	FO5N6C28H35 (1)
Stoich.:	AB5C6D28E35 (1)
Weight, g/mol:	493.268905
ΔH_f, kcal/mol:	-247.15
Dipole, Da:	5.84
IP(EA), eV:	-8.86(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-carbamoylanilino)-1-oxopropan-2-yl]-N-[3-(2,6-dimethylanilino)-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC(=C(C=C1)F)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC=C3C(=O)N

DOS

IR

Vibrations