Geometry & MOs

Info

ID:	243521
PubChem CID:	99225964
Reduced:	SN3O5C25H27 (1)
Stoich.:	AB3C5D25E27 (1)
Weight, g/mol:	379.237211
ΔH_f, kcal/mol:	-119.3
Dipole, Da:	7.74
IP(EA), eV:	-8.75(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-(N-methylanilino)propan-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

Drug info:

PubChemData

Smile

C[C@@H](CN(C)C1=CC=CC=C1)NC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations