Geometry & MOs

Info

ID:	120097
PubChem CID:	50713843
Reduced:	ClFO3N4C26H32 (1)
Stoich.:	ABC3D4E26F32 (1)
Weight, g/mol:	555.261232
ΔH_f, kcal/mol:	-171.23
Dipole, Da:	3.12
IP(EA), eV:	-9.0(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-chloroanilino]-2-oxoethyl]-N-[4-(propylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=C(C=C3)F)C

DOS

IR

Vibrations