Geometry & MOs

Info

ID:	420101
PubChem CID:	135111147
Reduced:	O5N7C28H39 (1)
Stoich.:	A5B7C28D39 (1)
Weight, g/mol:	378.136176
ΔH_f, kcal/mol:	-174.08
Dipole, Da:	5.45
IP(EA), eV:	-9.4(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@H](C2=NC(=NN2CC(=O)N1)C)CC3=CC=CC=C3)C(=O)[C@H]4CCCO4)C(C)C

DOS

IR

Vibrations