Geometry & MOs

Info

ID:	68548
PubChem CID:	46508620
Reduced:	S2N3O5C19H23 (1)
Stoich.:	A2B3C5D19E23 (1)
Weight, g/mol:	447.179421
ΔH_f, kcal/mol:	-156.78
Dipole, Da:	10.49
IP(EA), eV:	-8.78(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[1-[methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]amino]ethyl]phenyl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)NC(=O)CN(CC2=CC=CS2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations