Geometry & MOs

Info

ID:	251020
PubChem CID:	103100874
Reduced:	NCl2S3O4C7H9 (1)
Stoich.:	AB2C3D4E7F9 (1)
Weight, g/mol:	251.126991
ΔH_f, kcal/mol:	-142.51
Dipole, Da:	6.08
IP(EA), eV:	-9.78(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-(2-amino-2-oxoethyl)-N-ethyl-5-methoxybenzamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)S(=O)(=O)NCCS(=O)(=O)Cl)Cl

DOS

IR

Vibrations