Geometry & MOs

Info

ID:	43767
PubChem CID:	10321760
Reduced:	OS4C23H34 (1)
Stoich.:	AB4C23D34 (1)
Weight, g/mol:	454.137195
ΔH_f, kcal/mol:	-24.21
Dipole, Da:	2.31
IP(EA), eV:	-8.75(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[4-[3-chloro-2-(difluoromethyl)phenyl]phenyl]methylamino]-4-methylpyridin-3-yl]-3-cyanopropanamide

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC24SCCS4)CCC5=CC6(CC[C@]35CO)SCCS6

DOS

IR

Vibrations