Geometry & MOs

Info

ID:	112206
PubChem CID:	50398316
Reduced:	N5O5C32H41 (1)
Stoich.:	A5B5C32D41 (1)
Weight, g/mol:	545.243833
ΔH_f, kcal/mol:	-204.3
Dipole, Da:	1.8
IP(EA), eV:	-8.87(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4-fluorophenyl)carbamoyl]phenyl]-1-[2-[2-methyl-3-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC(=C3)C(=O)C)C(=O)NC4CCCC4

DOS

IR

Vibrations