Geometry & MOs

Info

ID:	39294
PubChem CID:	8140089
Reduced:	SN3O3C18H22 (1)
Stoich.:	AB3C3D18E22 (1)
Weight, g/mol:	343.18441
ΔH_f, kcal/mol:	14.48
Dipole, Da:	3.84
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.001138
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[[2-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)methyl]phenyl]methyl]azanium

Drug info:

PubChemData

Smile

C[NH+](C)CC1=CC=CC=C1CNC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations