Geometry & MOs

Info

ID:	169501
PubChem CID:	75112126
Reduced:	SN5O6C29H35 (1)
Stoich.:	AB5C6D29E35 (1)
Weight, g/mol:	515.196883
ΔH_f, kcal/mol:	-192.99
Dipole, Da:	2.44
IP(EA), eV:	-8.44(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-fluorophenoxy)phenyl]-4-phenylmethoxy-1-[2-(1,2,4-triazol-1-yl)acetyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3CN(CCN3S(=O)(=O)C4=CC=CC=C4)C(=O)C5CCNCC5

DOS

IR

Vibrations