Geometry & MOs

Info

ID:	43509
PubChem CID:	10321404
Reduced:	O2N5C26H33 (1)
Stoich.:	A2B5C26D33 (1)
Weight, g/mol:	447.198048
ΔH_f, kcal/mol:	25.82
Dipole, Da:	5.53
IP(EA), eV:	-8.72(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-[benzyl(methyl)amino]ethoxy]ethylcarbamothioyl]-4-phenylbenzamide

Drug info:

PubChemData

Smile

C1CCN(C1)CC2=CN=C(C=C2)OC[C@@H]3CC[C@H]4CN(CCN4C3)C5=NOC6=CC=CC=C65

DOS

IR

Vibrations