Geometry & MOs

Info

ID:	150711
PubChem CID:	53790406
Reduced:	NSO4C12H19 (1)
Stoich.:	ABC4D12E19 (1)
Weight, g/mol:	515.111953
ΔH_f, kcal/mol:	-181.6
Dipole, Da:	1.66
IP(EA), eV:	-9.43(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-imino-2-[4-[4-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]-1,3-thiazol-2-yl]-5-methylsulfanylthiophen-2-yl]acetamide

Drug info:

PubChemData

Smile

CC(CSC(=O)C)C(=O)N1CC(CCC1C=O)O

DOS

IR

Vibrations