Geometry & MOs

Info

ID:	154132
PubChem CID:	56313522
Reduced:	SN2O5C22H32 (1)
Stoich.:	AB2C5D22E32 (1)
Weight, g/mol:	407.17012
ΔH_f, kcal/mol:	-208.33
Dipole, Da:	5.42
IP(EA), eV:	-9.15(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,4-dimethylcyclohexyl)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)(C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations