Geometry & MOs

Info

ID:	416761
PubChem CID:	135090309
Reduced:	ON3C10H13 (2)
Stoich.:	AB3C10D13 (2)
Weight, g/mol:	379.131425
ΔH_f, kcal/mol:	12.08
Dipole, Da:	4.34
IP(EA), eV:	-8.91(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@@H]2O)CC3=CC(=C(C=C3)OC)CN4C=NC=N4

DOS

IR

Vibrations