Geometry & MOs

Info

ID:	13748
PubChem CID:	397485
Reduced:	OSN4H18C21 (1)
Stoich.:	ABC4D18E21 (1)
Weight, g/mol:	374.120132
ΔH_f, kcal/mol:	35.53
Dipole, Da:	8.07
IP(EA), eV:	-7.86(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-thia-6,9,19-triazapentacyclo[10.7.1.03,7.08,20.013,18]icosa-1,3(7),5,8,10,12(20),13,15,17-nonaen-2-yl)ethyl]propanamide

Drug info:

PubChemData

Smile

CCC(=O)NCCC1=C2C3=C(C=CN=C3C4=C1SC=N4)C5=CC=CC=C5N2

DOS

IR

Vibrations