Geometry & MOs

Info

ID:	146641
PubChem CID:	53722357
Reduced:	ON3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	424.168145
ΔH_f, kcal/mol:	-3.4
Dipole, Da:	5.54
IP(EA), eV:	-8.88(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)amino]pentanethioamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)CC2=CN(C=N2)C(=O)N(C)C

DOS

IR

Vibrations