Geometry & MOs

Info

ID:	39341
PubChem CID:	8140369
Reduced:	N2O3C21H25 (1)
Stoich.:	A2B3C21D25 (1)
Weight, g/mol:	315.15311
ΔH_f, kcal/mol:	-40.79
Dipole, Da:	5.22
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.105192
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[[2-[[(2-phenylsulfanylacetyl)amino]methyl]phenyl]methyl]azanium

Drug info:

PubChemData

Smile

C[NH+](C)CC1=CC=CC=C1CNC(=O)/C=C/C2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations