Geometry & MOs

Info

ID:	84011
PubChem CID:	49863240
Reduced:	N2O2F3H13C16 (1)
Stoich.:	A2B2C3D13E16 (1)
Weight, g/mol:	721.202309
ΔH_f, kcal/mol:	-163.55
Dipole, Da:	4.96
IP(EA), eV:	-9.78(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-[3-(methanesulfonamido)propyl]pyrrole-2-carbonyl]-4-(4,4-dimethylpiperidin-1-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C2=CC(=NC=C2)C#N)C(F)(F)F)OCCCO

DOS

IR

Vibrations