Geometry & MOs

Info

ID:	196048
PubChem CID:	78772232
Reduced:	SN2O4H18C19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	423.146203
ΔH_f, kcal/mol:	-89.68
Dipole, Da:	4.62
IP(EA), eV:	-8.98(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CSC(=N1)NC(=O)CCC2=CC=C(O2)C3=CC=CC=C3

DOS

IR

Vibrations