Geometry & MOs

Info

ID:	218933
PubChem CID:	85090198
Reduced:	ClIN3O5C19H19 (1)
Stoich.:	ABC3D5E19F19 (1)
Weight, g/mol:	531.134318
ΔH_f, kcal/mol:	-144.02
Dipole, Da:	3.65
IP(EA), eV:	-9.12(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pyridin-4-ylmethyl N-[1-[2-[2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carbonyl]hydrazinyl]-4-methyl-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)NC(CC2=CC(=C(C=C2)O)I)C(=O)NNC(=O)CCl

DOS

IR

Vibrations