Geometry & MOs

Info

ID:	416921
PubChem CID:	135090792
Reduced:	ClFSN5O6C32H41 (1)
Stoich.:	ABCD5E6F32G41 (1)
Weight, g/mol:	326.210661
ΔH_f, kcal/mol:	-283.58
Dipole, Da:	5.28
IP(EA), eV:	-8.92(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]propanamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCSC)C(C)C)C(=O)COC2=CC(=C(C=C2)F)Cl)CC3=CC=CC=C3

DOS

IR

Vibrations