Geometry & MOs

Info

ID:	61408
PubChem CID:	26708986
Reduced:	ClSN3O3H24C26 (1)
Stoich.:	ABC3D3E24F26 (1)
Weight, g/mol:	423.080826
ΔH_f, kcal/mol:	-27.86
Dipole, Da:	5.84
IP(EA), eV:	-9.53(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(S)-(4-chlorophenyl)-phenylmethyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N[C@@H](C2=CC=CC=C2)C3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC=C(C=C4)C#N

DOS

IR

Vibrations