Geometry & MOs

Info

ID:	237536
PubChem CID:	92719548
Reduced:	SO2N3C26H33 (1)
Stoich.:	AB2C3D26E33 (1)
Weight, g/mol:	483.219178
ΔH_f, kcal/mol:	-85.26
Dipole, Da:	4.25
IP(EA), eV:	-8.7(-0.98)
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-[2-(2-methoxyphenoxy)ethyl]propanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CNC(=O)CCC2=NC3=C(C4=C(S3)C[C@@H](CC4)C(C)(C)C)C(=O)N2

DOS

IR

Vibrations