Geometry & MOs

Info

ID:	137932
PubChem CID:	52285831
Reduced:	F2N2O2S2C15H18 (1)
Stoich.:	A2B2C2D2E15F18 (1)
Weight, g/mol:	371.17461
ΔH_f, kcal/mol:	-124.65
Dipole, Da:	9.59
IP(EA), eV:	-8.99(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN(C)[C@@H](CNC1=CC=C(C=C1)S(=O)(=O)C(F)F)C2=CSC=C2

DOS

IR

Vibrations