Geometry & MOs

Info

ID:	434141
PubChem CID:	135174302
Reduced:	FP2S3O8N11C19H24 (1)
Stoich.:	AB2C3D8E11F19G24 (1)
Weight, g/mol:	340.178693
ΔH_f, kcal/mol:	-382.53
Dipole, Da:	5.62
IP(EA), eV:	-9.36(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[4-[(azetidin-3-ylmethylamino)methyl]phenoxy]methyl]benzoate

Drug info:

PubChemData

Smile

C1CC(SC1COP(=S)(O)OC2C(OC(C2F)N3C4=NC=NC(=C4N=N3)N)COP(=S)(O)O)N5C=NC6=C5NC(=NC6=O)N

DOS

IR

Vibrations