Geometry & MOs

Info

ID:	137530
PubChem CID:	52221120
Reduced:	ClSN3O3C19H28 (1)
Stoich.:	ABC3D3E19F28 (1)
Weight, g/mol:	325.179027
ΔH_f, kcal/mol:	-119.46
Dipole, Da:	2.84
IP(EA), eV:	-9.02(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]ethyl]benzamide

Drug info:

PubChemData

Smile

C1COC[C@H]1[C@@H](CNC(=O)NCCSC2=CC=C(C=C2)Cl)N3CCOCC3

DOS

IR

Vibrations