Geometry & MOs

Info

ID:	143082
PubChem CID:	53143803
Reduced:	ClO3N4H15C20 (1)
Stoich.:	AB3C4D15E20 (1)
Weight, g/mol:	347.12161
ΔH_f, kcal/mol:	-7.04
Dipole, Da:	3.81
IP(EA), eV:	-9.06(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-[(2-fluorophenyl)methyl]-2-thiomorpholin-4-ylpyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C2=CC(=O)N(C3=CC=CC=C32)CC(=O)NC4=CC=CC=C4Cl

DOS

IR

Vibrations