Geometry & MOs

Info

ID:	138597
PubChem CID:	52391342
Reduced:	NSO3C18H21 (1)
Stoich.:	ABC3D18E21 (1)
Weight, g/mol:	369.181432
ΔH_f, kcal/mol:	-78.76
Dipole, Da:	6.53
IP(EA), eV:	-9.14(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[3-[3-methoxypropyl-[(4-methylphenyl)methyl]carbamoyl]anilino]acetate

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)C[NH+](CC2=CSC=C2)CC3=CC=CC=C3C(=O)[O-]

DOS

IR

Vibrations