Geometry & MOs

Info

ID:	331407
PubChem CID:	127248814
Reduced:	SO3N5C22H25 (1)
Stoich.:	AB3C5D22E25 (1)
Weight, g/mol:	439.201968
ΔH_f, kcal/mol:	-22.45
Dipole, Da:	2.09
IP(EA), eV:	-8.44(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(5-propyl-1,2-oxazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C(=O)N2CCOC(C2)C3=NC(=NC=C3C4=CC=C(C=C4)OC)N(C)C

DOS

IR

Vibrations