Geometry & MOs

Info

ID:	418990
PubChem CID:	135107271
Reduced:	SO7N8C44H58 (1)
Stoich.:	AB7C8D44E58 (1)
Weight, g/mol:	278.174276
ΔH_f, kcal/mol:	-254.95
Dipole, Da:	7.62
IP(EA), eV:	-8.38(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-4-pyrazol-1-ylbutanamide

Drug info:

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)CC3=CNC4=CC=CC=C43)C(=O)C5=CSC(=N5)C(C)C)C(C)C

DOS

IR

Vibrations