Geometry & MOs

Info

ID:	231767
PubChem CID:	87574620
Reduced:	NOC15H27 (1)
Stoich.:	ABC15D27 (1)
Weight, g/mol:	547.098411
ΔH_f, kcal/mol:	-67.18
Dipole, Da:	2.49
IP(EA), eV:	-9.3(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2-acetamido-4-methyl-1,3-thiazol-5-yl)sulfonylamino]-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxylate

Drug info:

PubChemData

Smile

CCCCCC=C/C=C\C(=O)NCC(C)CC

DOS

IR

Vibrations