Geometry & MOs

Info

ID:	149406
PubChem CID:	53789079
Reduced:	N5O6C36H49 (1)
Stoich.:	A5B6C36D49 (1)
Weight, g/mol:	168.046967
ΔH_f, kcal/mol:	-244.19
Dipole, Da:	4.02
IP(EA), eV:	-9.3(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methylidene-4,5,7,9-tetrahydro-1H-purine-6-thione

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NC(CC1=CC=CC=C1)C(C(C(CC2=CC=CC=C2)NC(=O)OC(C)(C)C)O)O)NC(=O)N(C)CC3=CC=CC=N3

DOS

IR

Vibrations