Geometry & MOs

Info

ID:	298695
PubChem CID:	117654017
Reduced:	SO4C27H38 (1)
Stoich.:	AB4C27D38 (1)
Weight, g/mol:	602.231632
ΔH_f, kcal/mol:	-172.21
Dipole, Da:	5.56
IP(EA), eV:	-8.62(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[2-phenoxy-4-(trifluoromethyl)piperidine-1-carbonyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)(C1=CC(=C(C=C1)OCC(C(C)(C)C)O)C)C2=CC(=C(S2)/C=C/C(=O)OC)C

DOS

IR

Vibrations