Geometry & MOs

Info

ID:	117512
PubChem CID:	50605731
Reduced:	ClO4N5C29H36 (1)
Stoich.:	AB4C5D29E36 (1)
Weight, g/mol:	551.17356
ΔH_f, kcal/mol:	-172.27
Dipole, Da:	7.36
IP(EA), eV:	-9.06(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(5-carbamoyl-2-chloroanilino)-2-oxoethyl]-N-[2-[(2-fluorophenyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC=CC=C2NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N)Cl

DOS

IR

Vibrations