Geometry & MOs

Info

ID:	117808
PubChem CID:	50616460
Reduced:	ClO4N5C26H32 (1)
Stoich.:	AB4C5D26E32 (1)
Weight, g/mol:	571.23616
ΔH_f, kcal/mol:	-167.7
Dipole, Da:	5.13
IP(EA), eV:	-8.57(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(5-carbamoyl-2-chloroanilino)-1-oxopropan-2-yl]-N-[5-(cyclohexanecarbonylamino)-2-fluorophenyl]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)N)Cl)C

DOS

IR

Vibrations