Geometry & MOs

Info

ID:	162826
PubChem CID:	57571058
Reduced:	FSO4N5C21H28 (1)
Stoich.:	ABC4D5E21F28 (1)
Weight, g/mol:	492.22966
ΔH_f, kcal/mol:	-183.03
Dipole, Da:	3.39
IP(EA), eV:	-9.3(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-[6-[2,5-difluoro-4-(morpholin-4-ylamino)anilino]pyrimidin-4-yl]oxypiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)OC(=O)N1CCC(CC1)CNC2=CC(=NC=N2)NC3=C(C=C(C=C3)S(=O)(=O)C)F

DOS

IR

Vibrations