Geometry & MOs

Info

ID:	211456
PubChem CID:	80953099
Reduced:	ClSO2N3C12H20 (1)
Stoich.:	ABC2D3E12F20 (1)
Weight, g/mol:	293.12949
ΔH_f, kcal/mol:	-86.13
Dipole, Da:	3.77
IP(EA), eV:	-9.41(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-6-chloro-N-[1-(furan-2-yl)propan-2-yl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=CC(=N1)Cl)NCCCS(=O)(=O)C

DOS

IR

Vibrations