Geometry & MOs

Info

ID:	150407
PubChem CID:	53790097
Reduced:	SO2N5C11H20 (1)
Stoich.:	AB2C5D11E20 (1)
Weight, g/mol:	375.078429
ΔH_f, kcal/mol:	20.58
Dipole, Da:	8.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.803162
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-3-[[3-chloro-4-[2-chloroethyl(methyl)amino]pyridin-2-yl]methyl]-2,6-dimethyl-4H-pyrimidin-4-amine

Drug info:

PubChemData

Smile

CN1CCN(CC1)[N+]2=NOC(=C2)NC(=O)CCSC

DOS

IR

Vibrations