Geometry & MOs

Info

ID:	422767
PubChem CID:	135118370
Reduced:	SO2N4C21H24 (1)
Stoich.:	AB2C4D21E24 (1)
Weight, g/mol:	250.142976
ΔH_f, kcal/mol:	-5.02
Dipole, Da:	7.0
IP(EA), eV:	-9.07(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]azetidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CN(C)CC1=NC(=CS1)C(=O)N[C@@H]2COC[C@H]2CC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations