Geometry & MOs

Info

ID:	33767
PubChem CID:	7888025
Reduced:	N2S2O3H16C20 (1)
Stoich.:	A2B2C3D16E20 (1)
Weight, g/mol:	399.107519
ΔH_f, kcal/mol:	-42.69
Dipole, Da:	5.85
IP(EA), eV:	-8.8(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(2-methoxyphenyl)-2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]propanamide

Drug info:

PubChemData

Smile

CC1=NC2=C(C3=C(S2)CCC3)C(=N1)SCC4=CC(=O)OC5=C4C=CC(=C5)O

DOS

IR

Vibrations