Geometry & MOs

Info

ID:	305987
PubChem CID:	124999636
Reduced:	SN3O3C17H23 (1)
Stoich.:	AB3C3D17E23 (1)
Weight, g/mol:	342.180424
ΔH_f, kcal/mol:	-126.38
Dipole, Da:	2.84
IP(EA), eV:	-9.04(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(6R)-4-(2-amino-6-methylpyrimidin-4-yl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(C[C@H](C1)C(=O)N)C(=O)C2=CSC3=C2CCCC3

DOS

IR

Vibrations