Geometry & MOs

Info

ID:	180105
PubChem CID:	76578053
Reduced:	FN3O5C16H20 (1)
Stoich.:	AB3C5D16E20 (1)
Weight, g/mol:	455.108582
ΔH_f, kcal/mol:	-205.88
Dipole, Da:	6.35
IP(EA), eV:	-9.54(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-benzylsulfanyl-6-(1-hydroxypropan-2-ylamino)pyrimidin-4-yl]-2-cyanobenzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NO)N1C(=O)C(NC1=O)COCC2=CC=C(C=C2)F

DOS

IR

Vibrations