Geometry & MOs

Info

ID:	33511
PubChem CID:	7886789
Reduced:	NO6C22H23 (1)
Stoich.:	AB6C22D23 (1)
Weight, g/mol:	369.096955
ΔH_f, kcal/mol:	-185.74
Dipole, Da:	3.2
IP(EA), eV:	-9.29(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(3-methylphenyl)-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)propanamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)C(=O)OCC(=O)N(CC2=CC=CO2)C3=CCCCC3

DOS

IR

Vibrations