Geometry & MOs

Info

ID:	39253
PubChem CID:	8139984
Reduced:	SN2O2C21H22 (1)
Stoich.:	AB2C2D21E22 (1)
Weight, g/mol:	389.222903
ΔH_f, kcal/mol:	-41.91
Dipole, Da:	4.23
IP(EA), eV:	-8.74(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[[2-(2-benzylphenoxy)acetyl]amino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SC[C@H]4CCCO4)C

DOS

IR

Vibrations