Geometry & MOs

Info

ID:	187797
PubChem CID:	77625758
Reduced:	SN3O7C29H33 (1)
Stoich.:	AB3C7D29E33 (1)
Weight, g/mol:	474.143423
ΔH_f, kcal/mol:	-270.28
Dipole, Da:	8.62
IP(EA), eV:	-9.02(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[(2-piperidin-2-yl-4-pyridin-3-ylphenyl)methyl]-4-(trifluoromethyl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)C(C(=O)O)NC(=O)OC(C)(C)C)C3=CC=CS3

DOS

IR

Vibrations