Geometry & MOs

Info

ID:	237531
PubChem CID:	92719499
Reduced:	SN3O3C29H31 (1)
Stoich.:	AB3C3D29E31 (1)
Weight, g/mol:	427.172976
ΔH_f, kcal/mol:	-75.73
Dipole, Da:	4.63
IP(EA), eV:	-8.66(-1.16)
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-fluorophenyl)propanamide

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H]1CCC2=C(C1)SC3=C2C(=O)NC(=N3)CCC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5

DOS

IR

Vibrations