Geometry & MOs

Info

ID:	244659
PubChem CID:	99376297
Reduced:	SN3O5C19H29 (1)
Stoich.:	AB3C5D19E29 (1)
Weight, g/mol:	487.225326
ΔH_f, kcal/mol:	-203.95
Dipole, Da:	6.95
IP(EA), eV:	-9.32(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-1-[2-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanylacetyl]piperidin-3-yl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)N[C@@H]1CCCN(C1)C(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N(C)C

DOS

IR

Vibrations