Geometry & MOs

Info

ID:	67422
PubChem CID:	46506450
Reduced:	OSN2C14H14 (2)
Stoich.:	ABC2D14E14 (2)
Weight, g/mol:	552.166511
ΔH_f, kcal/mol:	-0.69
Dipole, Da:	9.67
IP(EA), eV:	-8.6(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-4-[2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-3-yl]butanamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)CCCN2C(=O)C3=C(C4=CC=CC=C4S3)N=C2SCC5=CC=CC=C5C#N

DOS

IR

Vibrations