Geometry & MOs

Info

ID:	67423
PubChem CID:	46506451
Reduced:	FS2O3N4C28H29 (1)
Stoich.:	AB2C3D4E28F29 (1)
Weight, g/mol:	552.166511
ΔH_f, kcal/mol:	-120.59
Dipole, Da:	1.0
IP(EA), eV:	-8.57(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-4-[2-[2-(4-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=C2SCC(=O)NC5=CC=CC=C5F

DOS

IR

Vibrations