Geometry & MOs

Info

ID:	148848
PubChem CID:	53788517
Reduced:	SO2N7C28H31 (1)
Stoich.:	AB2C7D28E31 (1)
Weight, g/mol:	335.206505
ΔH_f, kcal/mol:	60.7
Dipole, Da:	4.89
IP(EA), eV:	-8.18(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-2-sulfanylpropyl)-5-[2-[(2-methyl-2-sulfanylpropyl)amino]ethylamino]pentanamide

Drug info:

PubChemData

Smile

CC=C(C)C(=O)NC1=CC(=C(C=C1)C)C2=NOC(=N2)C3=C(N=C(S3)C4=CC=C(C=C4)N5CCN(CC5)C)N

DOS

IR

Vibrations