Geometry & MOs

Info

ID:	169788
PubChem CID:	75148799
Reduced:	NSO5C22H35 (1)
Stoich.:	ABC5D22E35 (1)
Weight, g/mol:	599.184179
ΔH_f, kcal/mol:	-229.36
Dipole, Da:	2.16
IP(EA), eV:	-8.86(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[2-[3-(3,4-dichlorophenyl)-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl-methylamino]pyrrolidin-1-yl]-2-oxoethyl]piperazin-1-yl]propanenitrile

Drug info:

PubChemData

Smile

CCOC(=O)C(=O)NC(CSCC=C(C)CCC=C(C)CCC=C(C)C)C(=O)O

DOS

IR

Vibrations