Geometry & MOs

Info

ID:	169357
PubChem CID:	75092505
Reduced:	N5O5C14H15 (1)
Stoich.:	A5B5C14D15 (1)
Weight, g/mol:	561.215824
ΔH_f, kcal/mol:	-118.56
Dipole, Da:	4.0
IP(EA), eV:	-8.72(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(4-acetyl-3-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-2-[4-(cyclopropanecarbonyl)phenyl]-2-(pyrimidin-2-ylmethoxyimino)acetamide

Drug info:

PubChemData

Smile

C#CC1(C(C(OC1N2C=C(C3=C(N=CN=C32)N)C(=O)N)CO)O)O

DOS

IR

Vibrations