Geometry & MOs

Info

ID:	33841
PubChem CID:	7888399
Reduced:	SO3N5C20H23 (1)
Stoich.:	AB3C5D20E23 (1)
Weight, g/mol:	354.086056
ΔH_f, kcal/mol:	-14.94
Dipole, Da:	8.85
IP(EA), eV:	-8.93(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylcyclohexan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)CSC2=NN=C(N2N)COC3=CC=CC(=C3)OC

DOS

IR

Vibrations