Geometry & MOs

Info

ID:	84075
PubChem CID:	49864003
Reduced:	NO3C26H33 (1)
Stoich.:	AB3C26D33 (1)
Weight, g/mol:	426.102958
ΔH_f, kcal/mol:	-113.67
Dipole, Da:	3.18
IP(EA), eV:	-9.09(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(5-chloro-2-cyanopyrimidin-4-yl)-4-methyl-N'-(2-methylpropyl)-2-phenyl-1,3-thiazole-5-carbohydrazide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OCCCCCCCCCCN2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations