Geometry & MOs

Info

ID:	237533
PubChem CID:	92719535
Reduced:	SO2N3C26H33 (1)
Stoich.:	AB2C3D26E33 (1)
Weight, g/mol:	451.229348
ΔH_f, kcal/mol:	-79.34
Dipole, Da:	3.83
IP(EA), eV:	-8.72(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(7R)-7-tert-butyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]-N-[(2S)-2-phenylpropyl]propanamide

Drug info:

PubChemData

Smile

C[C@@H](CNC(=O)CCC1=NC2=C(C3=C(S2)C[C@H](CC3)C(C)(C)C)C(=O)N1)C4=CC=CC=C4

DOS

IR

Vibrations