Geometry & MOs

Info

ID:	73632
PubChem CID:	48419550
Reduced:	ClO2N4H19C20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	409.049919
ΔH_f, kcal/mol:	-5.53
Dipole, Da:	5.49
IP(EA), eV:	-8.99(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[2-[[2-(4-nitrophenyl)sulfinylacetyl]amino]ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=NN(C=C1)C2=CC=CC(=C2)C(=O)NCCNC(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations