Geometry & MOs

Info

ID:	68556
PubChem CID:	46508639
Reduced:	SN3O4C23H23 (1)
Stoich.:	AB3C4D23E23 (1)
Weight, g/mol:	417.205242
ΔH_f, kcal/mol:	-29.02
Dipole, Da:	3.17
IP(EA), eV:	-8.59(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[1-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]ethyl]phenyl]benzamide

Drug info:

PubChemData

Smile

CCN(CC1=CC2=C(C=C1)OCO2)CC(=O)N3C(CC(=N3)C4=CC=CO4)C5=CC=CS5

DOS

IR

Vibrations