Geometry & MOs

Info

ID:	244656
PubChem CID:	99376269
Reduced:	SN3O5C25H33 (1)
Stoich.:	AB3C5D25E33 (1)
Weight, g/mol:	385.247775
ΔH_f, kcal/mol:	-177.48
Dipole, Da:	3.27
IP(EA), eV:	-9.31(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-1-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]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)CC3=CC=CC=C3

DOS

IR

Vibrations