Geometry & MOs

Info

ID:	444472
PubChem CID:	135262571
Reduced:	O4N6C29H40 (1)
Stoich.:	A4B6C29D40 (1)
Weight, g/mol:	285.103479
ΔH_f, kcal/mol:	-116.47
Dipole, Da:	2.39
IP(EA), eV:	-8.69(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methyl-4-(4-methylphenyl)sulfonylmorpholin-2-yl]methanol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C3CCN(CC3)C(=O)OC(C)(C)C)N(N=C2)C4=CC(=NC(=N4)C)N5CC(C5)OCC(C)O

DOS

IR

Vibrations