Geometry & MOs

Info

ID:	135943
PubChem CID:	51957377
Reduced:	SN3O3C19H25 (1)
Stoich.:	AB3C3D19E25 (1)
Weight, g/mol:	437.136905
ΔH_f, kcal/mol:	-69.26
Dipole, Da:	3.79
IP(EA), eV:	-9.41(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-morpholin-4-ylsulfonyl-4-nitrophenyl)-1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-amine

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@H](O1)C)S(=O)(=O)N(C)[C@@H](C2=CC=CC=C2)C3=CC=CC=N3

DOS

IR

Vibrations