Geometry & MOs

Info

ID:	49806
PubChem CID:	11533853
Reduced:	S2N5O6C23H25 (1)
Stoich.:	A2B5C6D23E25 (1)
Weight, g/mol:	531.249747
ΔH_f, kcal/mol:	-171.24
Dipole, Da:	8.11
IP(EA), eV:	-8.84(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,2-diphenylethyl)-1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CCN1C(=O)/C(=C/2\NC3=C(C=C(C=C3)OC(C)C(=O)N)S(=O)(=O)N2)/C(=O)C(=N1)C4=CC=CS4

DOS

IR

Vibrations