Geometry & MOs

Info

ID:	60051
PubChem CID:	26675419
Reduced:	ClSN3O4C22H31 (1)
Stoich.:	ABC3D4E22F31 (1)
Weight, g/mol:	435.141676
ΔH_f, kcal/mol:	-117.81
Dipole, Da:	7.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.066531
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)CNC(=O)C[NH+](C)CC2=C(C=CC(=C2)Cl)OC

DOS

IR

Vibrations