Geometry & MOs

Info

ID:	67525
PubChem CID:	46506646
Reduced:	SN2O3H14C15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	415.086974
ΔH_f, kcal/mol:	-58.39
Dipole, Da:	2.73
IP(EA), eV:	-8.86(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chlorophenyl)methyl]-3-(8-ethyl-7-oxo-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-12-yl)propanamide

Drug info:

PubChemData

Smile

C1CC(OC1)CN2C(=O)C3=C(C4=CC=CC=C4O3)NC2=S

DOS

IR

Vibrations