Geometry & MOs

Info

ID:	41955
PubChem CID:	8147914
Reduced:	OSN4H20C21 (1)
Stoich.:	ABC4D20E21 (1)
Weight, g/mol:	380.033062
ΔH_f, kcal/mol:	42.66
Dipole, Da:	7.41
IP(EA), eV:	-9.18(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

C1CCN([C@H](C1)C2=NC3=CC=CC=C3S2)CC4=NC(=O)C5=CC=CC=C5N4

DOS

IR

Vibrations