Geometry & MOs

Info

ID:	320709
PubChem CID:	126662817
Reduced:	SN3O5H21C24 (1)
Stoich.:	AB3C5D21E24 (1)
Weight, g/mol:	331.144453
ΔH_f, kcal/mol:	-104.55
Dipole, Da:	5.28
IP(EA), eV:	-8.5(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[6-[(3-fluorophenyl)methylamino]pyrimidin-4-yl]azetidin-3-yl]methylcarbamic acid

Drug info:

PubChemData

Smile

CCOC(=O)OC1=CN=C(C2=C1SC=C2COC3=CC=CC(=C3)NC(=O)C4=CC=CC=C4)N

DOS

IR

Vibrations