Geometry & MOs

Info

ID:	84335
PubChem CID:	49865899
Reduced:	SCl2N3O7H23C28 (1)
Stoich.:	AB2C3D7E23F28 (1)
Weight, g/mol:	448.127773
ΔH_f, kcal/mol:	-195.86
Dipole, Da:	6.86
IP(EA), eV:	-8.91(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1O[C@H]([C@@H](O1)C(=O)N[C@@H](CC2=CC=C(C=C2)OCC3=C(C=CC=C3Cl)Cl)C(=O)O)C(=O)NC4=NC5=CC=CC=C5S4

DOS

IR

Vibrations