Geometry & MOs

Info

ID:	417661
PubChem CID:	135102401
Reduced:	FN2O5C21H27 (1)
Stoich.:	AB2C5D21E27 (1)
Weight, g/mol:	379.131425
ΔH_f, kcal/mol:	-201.8
Dipole, Da:	4.32
IP(EA), eV:	-9.27(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC1(CCCN(C1)C2=NOC(=C2C(=O)O)C3=CC(=C(C=C3)F)OC)CO

DOS

IR

Vibrations