Geometry & MOs

Info

ID:	33764
PubChem CID:	7888009
Reduced:	ClFN2O4H18C20 (1)
Stoich.:	ABC2D4E18F20 (1)
Weight, g/mol:	413.086784
ΔH_f, kcal/mol:	-180.61
Dipole, Da:	9.02
IP(EA), eV:	-9.13(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(1,3-benzodioxol-5-yl)-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

C1CC(=O)N(C1)CC2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC(=C(C=C3)F)Cl

DOS

IR

Vibrations