Geometry & MOs

Info

ID:	422222
PubChem CID:	135117435
Reduced:	O3N4C14H20 (1)
Stoich.:	A3B4C14D20 (1)
Weight, g/mol:	364.120526
ΔH_f, kcal/mol:	-104.82
Dipole, Da:	2.43
IP(EA), eV:	-9.86(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidine-1-carbonyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CN(CC(=O)N[C@H]1COC[C@H]1CC2=CC=NC=C2)C(=O)N

DOS

IR

Vibrations