Geometry & MOs

Info

ID:	165842
PubChem CID:	74604175
Reduced:	SN2O2C9H9 (2)
Stoich.:	AB2C2D9E9 (2)
Weight, g/mol:	393.154469
ΔH_f, kcal/mol:	-22.65
Dipole, Da:	11.48
IP(EA), eV:	-9.42(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC2=NC(=NC(=O)C12)CSC(C)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C

DOS

IR

Vibrations