Geometry & MOs

Info

ID:	333162
PubChem CID:	127251710
Reduced:	SO4N5C19H21 (1)
Stoich.:	AB4C5D19E21 (1)
Weight, g/mol:	393.143704
ΔH_f, kcal/mol:	-112.07
Dipole, Da:	2.2
IP(EA), eV:	-9.5(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-aminopyrido[2,3-d]pyrimidin-7-yl)morpholin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CC(=O)N2CCOC(C2)C3=NC4=C(C=C3)C(=O)N(C(=O)N4C)C

DOS

IR

Vibrations