Geometry & MOs

Info

ID:	121263
PubChem CID:	50760999
Reduced:	SO2N4H20C21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	364.099397
ΔH_f, kcal/mol:	-2.15
Dipole, Da:	2.13
IP(EA), eV:	-8.78(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)-N-phenylbutanamide

Drug info:

PubChemData

Smile

CCC(C(=O)N(CC)C1=CC=CC=C1)N2C=NC3=C(C2=O)SC4=C3C=CC=N4

DOS

IR

Vibrations