Geometry & MOs

Info

ID:	306448
PubChem CID:	125011763
Reduced:	O3N4C22H32 (1)
Stoich.:	A3B4C22D32 (1)
Weight, g/mol:	398.11611
ΔH_f, kcal/mol:	-130.23
Dipole, Da:	9.46
IP(EA), eV:	-9.0(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2R)-4-(benzenesulfonyl)morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)[C@H]2CCN(C2)C(=O)[C@H]3CCCO3)C)CC(=O)N4CCCCC4

DOS

IR

Vibrations