Geometry & MOs

Info

ID:	421189
PubChem CID:	135115529
Reduced:	N2O3C22H28 (1)
Stoich.:	A2B3C22D28 (1)
Weight, g/mol:	396.126755
ΔH_f, kcal/mol:	-109.07
Dipole, Da:	5.22
IP(EA), eV:	-9.8(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)sulfonyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CCC1=CC=C(C=C1)C(=O)N[C@H]2COC[C@H]2CC3=CC=NC=C3)O

DOS

IR

Vibrations