Geometry & MOs

Info

ID:	44884
PubChem CID:	10506348
Reduced:	NOC18H18 (2)
Stoich.:	ABC18D18 (2)
Weight, g/mol:	528.165369
ΔH_f, kcal/mol:	0.47
Dipole, Da:	2.85
IP(EA), eV:	-8.86(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N'-bis[4-(2-aminophenyl)sulfanylphenyl]pentanediamide

Drug info:

PubChemData

Smile

CC1(CCC(C2=C1C=C3C(=C2)N(C4=C(C=C(C=C4)C5=CC=CC=C5)N=C3C6=CC=C(C=C6)C(=O)OC)C)(C)C)C

DOS

IR

Vibrations