Geometry & MOs

Info

ID:	237529
PubChem CID:	92719497
Reduced:	ClSO2N3C23H26 (1)
Stoich.:	ABC2D3E23F26 (1)
Weight, g/mol:	443.143426
ΔH_f, kcal/mol:	-79.46
Dipole, Da:	5.43
IP(EA), eV:	-8.94(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(7S)-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)(C)[C@@H]1CCC2=C(C1)SC3=C2C(=O)NC(=N3)CCC(=O)NC4=CC(=CC=C4)Cl

DOS

IR

Vibrations