Geometry & MOs

Info

ID:	414252
PubChem CID:	135087208
Reduced:	SO2N6C16H24 (1)
Stoich.:	AB2C6D16E24 (1)
Weight, g/mol:	323.119381
ΔH_f, kcal/mol:	-8.38
Dipole, Da:	4.77
IP(EA), eV:	-9.53(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(difluoromethyl)-1H-pyrazol-3-yl]-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCCC1=NNC(=C1)CN(C)CC(=O)NC2=NN=C(S2)C3CCCO3

DOS

IR

Vibrations