Geometry & MOs

Info

ID:	193092
PubChem CID:	78341123
Reduced:	FSN3O3C21H26 (1)
Stoich.:	ABC3D3E21F26 (1)
Weight, g/mol:	363.161663
ΔH_f, kcal/mol:	-170.71
Dipole, Da:	10.3
IP(EA), eV:	-8.75(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-6-(2,4-dioxo-4aH-thieno[3,2-d]pyrimidin-3-yl)hexanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCC3C(C2)NC(=S)N(C3=O)CC4CCCO4)F

DOS

IR

Vibrations