Geometry & MOs

Info

ID:	118157
PubChem CID:	50631325
Reduced:	ClO4N5C30H40 (1)
Stoich.:	AB4C5D30E40 (1)
Weight, g/mol:	579.20486
ΔH_f, kcal/mol:	-175.95
Dipole, Da:	7.98
IP(EA), eV:	-8.71(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(dimethylcarbamoyl)anilino]-2-oxoethyl]-N-[4-[(3-fluorobenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)C)C)Cl

DOS

IR

Vibrations