Geometry & MOs

Info

ID:	174725
PubChem CID:	75806938
Reduced:	SN4O5H16C18 (1)
Stoich.:	AB4C5D16E18 (1)
Weight, g/mol:	302.154289
ΔH_f, kcal/mol:	-108.74
Dipole, Da:	2.51
IP(EA), eV:	-9.14(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1C(=O)C2C=C(C=CC2=[N+](C1=O)C)S(=O)(=O)NC3=CC4=C(CC(=N4)[O-])C=C3

DOS

IR

Vibrations