Geometry & MOs

Info

ID:	102317
PubChem CID:	50066221
Reduced:	SO4N6C30H36 (1)
Stoich.:	AB4C6D30E36 (1)
Weight, g/mol:	556.144424
ΔH_f, kcal/mol:	-114.91
Dipole, Da:	13.23
IP(EA), eV:	-8.44(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dichlorophenyl)-1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=NC=CS4

DOS

IR

Vibrations