Geometry & MOs

Info

ID:	158386
PubChem CID:	56463550
Reduced:	OSN3C21H29 (1)
Stoich.:	ABC3D21E29 (1)
Weight, g/mol:	475.179044
ΔH_f, kcal/mol:	-26.32
Dipole, Da:	4.38
IP(EA), eV:	-8.89(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-(2-methylpropyl)-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-1,3-thiazole-5-carbohydrazide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC(C)C)C(=O)NCC2=CC=C(C=C2)CN3CCCC3

DOS

IR

Vibrations