Geometry & MOs

Info

ID:	277273
PubChem CID:	103827589
Reduced:	SN2O4C12H24 (1)
Stoich.:	AB2C4D12E24 (1)
Weight, g/mol:	281.156184
ΔH_f, kcal/mol:	-200.77
Dipole, Da:	6.95
IP(EA), eV:	-9.4(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-methylsulfanyl-3-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)propan-2-ol

Drug info:

PubChemData

Smile

CC(C1CCN(CC1)C(=O)C(CCS(=O)(=O)C)N)O

DOS

IR

Vibrations