Geometry & MOs

Info

ID:	67606
PubChem CID:	46506804
Reduced:	SN4O6C32H36 (1)
Stoich.:	AB4C6D32E36 (1)
Weight, g/mol:	548.189355
ΔH_f, kcal/mol:	-195.92
Dipole, Da:	6.03
IP(EA), eV:	-8.99(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-4-[[1-[2-(3-fluoroanilino)-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]methyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)CNC(=O)CN2C3=C(C(=O)N(C2=O)CC4CCC(CC4)C(=O)NCC5=CC=CC=C5)SC=C3

DOS

IR

Vibrations