Geometry & MOs

Info

ID:	185847
PubChem CID:	77358353
Reduced:	ClSN3O3H34C35 (1)
Stoich.:	ABC3D3E34F35 (1)
Weight, g/mol:	250.087291
ΔH_f, kcal/mol:	28.57
Dipole, Da:	3.55
IP(EA), eV:	-8.8(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-chloro-2,2-dimethyl-3H-inden-1-ylidene)amino]acetamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C3C1=NC(=O)C=C3)OC(C2)CNC(=O)C(CSC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)N.Cl

DOS

IR

Vibrations