Geometry & MOs

Info

ID:	416939
PubChem CID:	135090836
Reduced:	SN4O4C17H22 (1)
Stoich.:	AB4C4D17E22 (1)
Weight, g/mol:	315.169525
ΔH_f, kcal/mol:	-100.02
Dipole, Da:	6.81
IP(EA), eV:	-9.1(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-amino-3-methylpyrazol-1-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)C2=CC=CC(=C2)C3=CNN=C3

DOS

IR

Vibrations