Geometry & MOs

Info

ID:	447033
PubChem CID:	135279704
Reduced:	OSN7C26H31 (1)
Stoich.:	ABC7D26E31 (1)
Weight, g/mol:	520.298431
ΔH_f, kcal/mol:	57.88
Dipole, Da:	3.97
IP(EA), eV:	-8.57(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[1-[(1E,3Z)-1,4-diaminobuta-1,3-dien-2-yl]piperidin-4-yl]ethyl]-N-[1-(1H-indol-3-yl)hexan-2-yl]-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CCCCC(CC1=CNC2=CC=CC=C21)NC(=O)C3=CN=C(S3)N4CCN(CC4)C5=CN=CN=C5

DOS

IR

Vibrations