Geometry & MOs

Info

ID:	237528
PubChem CID:	92719496
Reduced:	SO2N4C24H36 (1)
Stoich.:	AB2C4D24E36 (1)
Weight, g/mol:	443.143426
ΔH_f, kcal/mol:	-107.39
Dipole, Da:	5.37
IP(EA), eV:	-8.71(-0.9)
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-(3-chlorophenyl)propanamide

Drug info:

PubChemData

Smile

CC[C@H]1CCCCN1CCCNC(=O)CCC2=NC3=C(C4=C(S3)CCCCC4)C(=O)N2

DOS

IR

Vibrations