Geometry & MOs

Info

ID:	414328
PubChem CID:	135087284
Reduced:	ClFN3O3C16H19 (1)
Stoich.:	ABC3D3E16F19 (1)
Weight, g/mol:	344.151826
ΔH_f, kcal/mol:	-132.11
Dipole, Da:	4.13
IP(EA), eV:	-9.28(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-(5-methylpyrazol-1-yl)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)N(CCO)CC1=CN=CN1C)OC2=C(C=C(C=C2)F)Cl

DOS

IR

Vibrations