Geometry & MOs

Info

ID:	209633
PubChem CID:	80697509
Reduced:	SCl2N2O3H8C13 (1)
Stoich.:	AB2C2D3E8F13 (1)
Weight, g/mol:	277.179027
ΔH_f, kcal/mol:	-47.57
Dipole, Da:	4.82
IP(EA), eV:	-9.41(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C#N)S(=O)(=O)NC2=CC(=C(C=C2)O)Cl)Cl

DOS

IR

Vibrations