Geometry & MOs

Info

ID:	110673
PubChem CID:	50335320
Reduced:	N4O5C29H36 (1)
Stoich.:	A4B5C29D36 (1)
Weight, g/mol:	587.290783
ΔH_f, kcal/mol:	-173.41
Dipole, Da:	5.77
IP(EA), eV:	-8.33(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCCO4)C(=O)N5CCCC5

DOS

IR

Vibrations