Geometry & MOs

Info

ID:	333228
PubChem CID:	127251776
Reduced:	SO3N6C20H22 (1)
Stoich.:	AB3C6D20E22 (1)
Weight, g/mol:	406.175339
ΔH_f, kcal/mol:	-14.19
Dipole, Da:	5.29
IP(EA), eV:	-9.07(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methoxy-3-methylphenyl)-[2-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CS(=O)(=O)N2CCOC(C2)C3=CN=CC(=N3)NC4=NC=CC=N4

DOS

IR

Vibrations