Geometry & MOs

Info

ID:	39322
PubChem CID:	8140263
Reduced:	SN3O3C23H34 (1)
Stoich.:	AB3C3D23E34 (1)
Weight, g/mol:	323.212338
ΔH_f, kcal/mol:	-91.91
Dipole, Da:	7.52
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.995699
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[[2-[(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)methyl]phenyl]methyl]azanium

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C)S(=O)(=O)N[C@@H](C)C(=O)NCC2=CC=CC=C2C[NH+](C)C)C)C

DOS

IR

Vibrations