Geometry & MOs

Info

ID:	33431
PubChem CID:	7886421
Reduced:	OS2N3C21H21 (1)
Stoich.:	AB2C3D21E21 (1)
Weight, g/mol:	425.159555
ΔH_f, kcal/mol:	19.22
Dipole, Da:	0.79
IP(EA), eV:	-8.63(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(2-methyl-6-propan-2-ylphenyl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)propanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CCC2=CC=CC=C21)SC3=NC=NC4=C3C5=C(S4)CCCC5

DOS

IR

Vibrations