Geometry & MOs

Info

ID:	33380
PubChem CID:	7886150
Reduced:	ON2S3C18H18 (1)
Stoich.:	AB2C3D18E18 (1)
Weight, g/mol:	395.166748
ΔH_f, kcal/mol:	38.33
Dipole, Da:	2.2
IP(EA), eV:	-8.72(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide

Drug info:

PubChemData

Smile

CSCCSC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)N1CC=C

DOS

IR

Vibrations