Geometry & MOs

Info

ID:	358954
PubChem CID:	127296845
Reduced:	OS2N3C17H21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	333.096955
ΔH_f, kcal/mol:	-4.67
Dipole, Da:	5.15
IP(EA), eV:	-8.89(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclobutylmethyl)-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(S2)N=CN=C3SCC(=O)NCC4CCC4

DOS

IR

Vibrations