Geometry & MOs

Info

ID:	244524
PubChem CID:	99360758
Reduced:	BrON7H16C17 (1)
Stoich.:	ABC7D16E17 (1)
Weight, g/mol:	450.204925
ΔH_f, kcal/mol:	93.51
Dipole, Da:	4.99
IP(EA), eV:	-9.24(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-[[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridin-3-yl]methyl]propanamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=C(C=N2)Br)C(=O)C3=CC=C(C=C3)N4C=NN=C4

DOS

IR

Vibrations