Geometry & MOs

Info

ID:	417303
PubChem CID:	135091964
Reduced:	NCl2O2C18H25 (1)
Stoich.:	AB2C2D18E25 (1)
Weight, g/mol:	391.167811
ΔH_f, kcal/mol:	-103.59
Dipole, Da:	6.26
IP(EA), eV:	-8.79(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,4R)-4-[[4-(2,6-dimethylpyridin-3-yl)pyrimidin-2-yl]amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)CC3=C(C(=CC(=C3)Cl)Cl)OC)O

DOS

IR

Vibrations