Geometry & MOs

Info

ID:	62511
PubChem CID:	26719820
Reduced:	SN2O3C17H20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	431.07959
ΔH_f, kcal/mol:	-107.95
Dipole, Da:	2.25
IP(EA), eV:	-8.34(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylsulfanylphenyl)-3-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)methylsulfanyl]propanamide

Drug info:

PubChemData

Smile

CCC1=C(C(=C(N1)C(=O)NC2=CC(=CC=C2)SC)C)C(=O)OC

DOS

IR

Vibrations