Geometry & MOs

Info

ID:	169688
PubChem CID:	75136272
Reduced:	SO3N5C21H37 (1)
Stoich.:	AB3C5D21E37 (1)
Weight, g/mol:	368.102174
ΔH_f, kcal/mol:	-127.22
Dipole, Da:	4.25
IP(EA), eV:	-8.69(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-oxobenzimidazol-5-yl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCN(CC(=O)OC)CN1C(=S)N2C3CCCCC3C(=O)N(C2N1)CCC(C)C

DOS

IR

Vibrations