Geometry & MOs

Info

ID:	170141
PubChem CID:	75202895
Reduced:	O4N5C24H25 (1)
Stoich.:	A4B5C24D25 (1)
Weight, g/mol:	529.199505
ΔH_f, kcal/mol:	-52.02
Dipole, Da:	4.33
IP(EA), eV:	-8.96(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-(2-methoxyethylsulfonyl)-2-[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OC2=CC=C(C=C2)C3=NN(C(=C3C(=O)N)N)[C@@H]4CCN(C4)C(=O)C=C

DOS

IR

Vibrations